1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol

C25H46N2O3 — CID 166234408

IUPAC1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol
SMILESOC(CN1CCC(OCC2CCCC2)CC1)CN1CCC(OCC2CCCC2)CC1
InChIInChI=1S/C25H46N2O3/c28-23(17-26-13-9-24(10-14-26)29-19-21-5-1-2-6-21)18-27-15-11-25(12-16-27)30-20-22-7-3-4-8-22/h21-25,28H,1-20H2
InChIKeyYUXZKAQUGWJBKB-UHFFFAOYSA-N
MW422.65 g/mol
LogP3.69
Rot. Bonds10

About 1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol

1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol (PubChem CID 166234408) has the molecular formula C25H46N2O3 and a molecular weight of 422.65 g/mol. Its IUPAC name is 1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol
PubChem CID166234408
Molecular FormulaC25H46N2O3
Molecular Weight422.65 g/mol
Exact Mass422.35
IUPAC Name1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol
SMILESOC(CN1CCC(OCC2CCCC2)CC1)CN1CCC(OCC2CCCC2)CC1
InChIInChI=1S/C25H46N2O3/c28-23(17-26-13-9-24(10-14-26)29-19-21-5-1-2-6-21)18-27-15-11-25(12-16-27)30-20-22-7-3-4-8-22/h21-25,28H,1-20H2
InChIKeyYUXZKAQUGWJBKB-UHFFFAOYSA-N
XLogP3.69
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.65
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
CID 103159381
1-cyclopentyl-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103160053
(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 1120303
3-[4-(2-aminoethoxy)piperidin-1-yl]propane-1,2-diol
CID 82843758
1-(2-methylpropyl)-4-[(1-propylpiperidin-4-yl)methoxy]piperidine
CID 167191940
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
CID 163400543
1-methyl-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine;propane
CID 163400134
1-cyclohexyloxy-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 44782571
(2S)-1-cyclopentyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30726287
(2R)-1-cyclohexyloxy-3-piperazin-1-ylpropan-2-ol
CID 1132916
1-cyclopentyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 16958185
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol (CID 166234408) is 1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol is OC(CN1CCC(OCC2CCCC2)CC1)CN1CCC(OCC2CCCC2)CC1.
What is the InChIKey of 1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol?
The InChIKey is YUXZKAQUGWJBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O3/c28-23(17-26-13-9-24(10-14-26)29-19-21-5-1-2-6-21)18-27-15-11-25(12-16-27)30-20-22-7-3-4-8-22/h21-25,28H,1-20H2.
What are the key properties of 1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol?
1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol has a molecular weight of 422.65 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 166234408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).