[1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol

C22H36N2O — CID 67960833

IUPAC[1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCC(CNCCCc2ccccc2)CC1
InChIInChI=1S/C22H36N2O/c25-18-22-9-5-15-24(22)17-21-12-10-20(11-13-21)16-23-14-4-8-19-6-2-1-3-7-19/h1-3,6-7,20-23,25H,4-5,8-18H2
InChIKeyPEFAZFDWZXOUGR-UHFFFAOYSA-N
MW344.54 g/mol
LogP3.47
Rot. Bonds9

About [1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol

[1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 67960833) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is [1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID67960833
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC Name[1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCC(CNCCCc2ccccc2)CC1
InChIInChI=1S/C22H36N2O/c25-18-22-9-5-15-24(22)17-21-12-10-20(11-13-21)16-23-14-4-8-19-6-2-1-3-7-19/h1-3,6-7,20-23,25H,4-5,8-18H2
InChIKeyPEFAZFDWZXOUGR-UHFFFAOYSA-N
XLogP3.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
[1-[[4-[[(4-chlorophenyl)methylamino]methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol
CID 70930550
4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine
CID 119930243
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
N-[[(2S)-1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidin-2-yl]methyl]-3-phenylpropan-1-amine
CID 10600218
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
N-[[1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]benzamide
CID 54152625
[(2R)-1-[[6-(5-phenylpentoxy)naphthalen-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 66689325
4-[3-(cyclopropylmethylamino)propyl]aniline
CID 115341816

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol (CID 67960833) is [1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCC(CNCCCc2ccccc2)CC1.
What is the InChIKey of [1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is PEFAZFDWZXOUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O/c25-18-22-9-5-15-24(22)17-21-12-10-20(11-13-21)16-23-14-4-8-19-6-2-1-3-7-19/h1-3,6-7,20-23,25H,4-5,8-18H2.
What are the key properties of [1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 344.54 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[(3-phenylpropylamino)methyl]cyclohexyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 67960833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).