1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine

C34H58N4O2 — CID 14691986

IUPAC1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine
SMILESc1cc(COC(CN2CCCCC2)CN2CCCCC2)ccc1COC(CN1CCCCC1)CN1CCCCC1
InChIInChI=1S/C34H58N4O2/c1-5-17-35(18-6-1)25-33(26-36-19-7-2-8-20-36)39-29-31-13-15-32(16-14-31)30-40-34(27-37-21-9-3-10-22-37)28-38-23-11-4-12-24-38/h13-16,33-34H,1-12,17-30H2
InChIKeyFDYASAZOFDVSJQ-UHFFFAOYSA-N
MW554.86 g/mol
LogP5.40
Rot. Bonds14

About 1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine

1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine (PubChem CID 14691986) has the molecular formula C34H58N4O2 and a molecular weight of 554.86 g/mol. Its IUPAC name is 1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine.

Molecular Properties

Compound Name1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine
PubChem CID14691986
Molecular FormulaC34H58N4O2
Molecular Weight554.86 g/mol
Exact Mass554.46
IUPAC Name1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine
SMILESc1cc(COC(CN2CCCCC2)CN2CCCCC2)ccc1COC(CN1CCCCC1)CN1CCCCC1
InChIInChI=1S/C34H58N4O2/c1-5-17-35(18-6-1)25-33(26-36-19-7-2-8-20-36)39-29-31-13-15-32(16-14-31)30-40-34(27-37-21-9-3-10-22-37)28-38-23-11-4-12-24-38/h13-16,33-34H,1-12,17-30H2
InChIKeyFDYASAZOFDVSJQ-UHFFFAOYSA-N
XLogP5.40
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.86
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(3,5-dimethylphenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine;dihydrochloride
CID 24842661
N-(2-phenylmethoxy-3-piperidin-1-ylpropoxy)-2H-pyridin-3-imine
CID 140983467
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[phenylmethoxy(piperidin-1-yl)methyl]piperidine
CID 3477128
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
1-[4-(3-hexadecoxy-2-phenylmethoxypropoxy)butyl]azepane
CID 70484915
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
benzyl 3-amino-3-hydroxy-2-(piperidin-1-ylmethyl)propanoate
CID 154447907
1-benzyl-4-(2-phenylmethoxy-3-trityloxypropyl)piperazine
CID 118166318
1-[3-(4-ethylphenyl)-2-methylpropyl]piperidine
CID 139561533
1,3-di(piperidin-1-yl)propan-2-yl benzoate dichloride
CID 45108743

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine?
The IUPAC name of 1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine (CID 14691986) is 1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine.
What is the SMILES notation for 1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine?
The canonical SMILES for 1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine is c1cc(COC(CN2CCCCC2)CN2CCCCC2)ccc1COC(CN1CCCCC1)CN1CCCCC1.
What is the InChIKey of 1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine?
The InChIKey is FDYASAZOFDVSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58N4O2/c1-5-17-35(18-6-1)25-33(26-36-19-7-2-8-20-36)39-29-31-13-15-32(16-14-31)30-40-34(27-37-21-9-3-10-22-37)28-38-23-11-4-12-24-38/h13-16,33-34H,1-12,17-30H2.
What are the key properties of 1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine?
1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine has a molecular weight of 554.86 g/mol, XLogP of 5.40, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-[1,3-di(piperidin-1-yl)propan-2-yloxymethyl]phenyl]methoxy]-3-piperidin-1-ylpropyl]piperidine is sourced from PubChem (CID 14691986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).