1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine

C32H35N2O3P — CID 143706190

IUPAC1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine
SMILESOp1oc2c(CN3CCCCC3)cc3ccccc3c2c2c(o1)c(CN1CCCCC1)cc1ccccc12
InChIInChI=1S/C32H35N2O3P/c35-38-36-31-25(21-33-15-7-1-8-16-33)19-23-11-3-5-13-27(23)29(31)30-28-14-6-4-12-24(28)20-26(32(30)37-38)22-34-17-9-2-10-18-34/h3-6,11-14,19-20,35H,1-2,7-10,15-18,21-22H2
InChIKeyXFMPTCGETDZRHE-UHFFFAOYSA-N
MW526.62 g/mol
LogP8.32
Rot. Bonds4

About 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine

1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine (PubChem CID 143706190) has the molecular formula C32H35N2O3P and a molecular weight of 526.62 g/mol. Its IUPAC name is 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine
PubChem CID143706190
Molecular FormulaC32H35N2O3P
Molecular Weight526.62 g/mol
Exact Mass526.24
IUPAC Name1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine
SMILESOp1oc2c(CN3CCCCC3)cc3ccccc3c2c2c(o1)c(CN1CCCCC1)cc1ccccc12
InChIInChI=1S/C32H35N2O3P/c35-38-36-31-25(21-33-15-7-1-8-16-33)19-23-11-3-5-13-27(23)29(31)30-28-14-6-4-12-24(28)20-26(32(30)37-38)22-34-17-9-2-10-18-34/h3-6,11-14,19-20,35H,1-2,7-10,15-18,21-22H2
InChIKeyXFMPTCGETDZRHE-UHFFFAOYSA-N
XLogP8.32
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.62
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine with MolForge

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Related Compounds

N-methyl-3-(piperidin-1-ylmethyl)quinolin-2-amine
CID 62182323
1-(10,16-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)pyrrolidine
CID 102418630
8-hydroxy-9-(piperidin-1-ylmethyl)-[1]benzofuro[3,2-c]chromen-6-one
CID 155511467
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 91591422
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
2-(piperidin-1-ylmethyl)-3-pyrrolidin-1-ylbenzo[f]chromen-1-one
CID 3040349
2-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785608

Frequently Asked Questions

What is the IUPAC name of 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine?
The IUPAC name of 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine (CID 143706190) is 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine.
What is the SMILES notation for 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine?
The canonical SMILES for 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine is Op1oc2c(CN3CCCCC3)cc3ccccc3c2c2c(o1)c(CN1CCCCC1)cc1ccccc12.
What is the InChIKey of 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine?
The InChIKey is XFMPTCGETDZRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N2O3P/c35-38-36-31-25(21-33-15-7-1-8-16-33)19-23-11-3-5-13-27(23)29(31)30-28-14-6-4-12-24(28)20-26(32(30)37-38)22-34-17-9-2-10-18-34/h3-6,11-14,19-20,35H,1-2,7-10,15-18,21-22H2.
What are the key properties of 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine?
1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine has a molecular weight of 526.62 g/mol, XLogP of 8.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[13-hydroxy-16-(piperidin-1-ylmethyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]methyl]piperidine is sourced from PubChem (CID 143706190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).