4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol

C15H30N2O — CID 64720827

IUPAC4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
SMILESCC(O)CC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H30N2O/c1-13(11-14(2)18)17-9-5-15(6-10-17)12-16-7-3-4-8-16/h13-15,18H,3-12H2,1-2H3
InChIKeyBFOCQRHMVQPAHC-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.95
Rot. Bonds5

About 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol

4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol (PubChem CID 64720827) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol.

Molecular Properties

Compound Name4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
PubChem CID64720827
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol
SMILESCC(O)CC(C)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H30N2O/c1-13(11-14(2)18)17-9-5-15(6-10-17)12-16-7-3-4-8-16/h13-15,18H,3-12H2,1-2H3
InChIKeyBFOCQRHMVQPAHC-UHFFFAOYSA-N
XLogP1.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007603
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-amine
CID 64706192
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propyl]cyclopentanamine
CID 63009402
N-prop-2-enyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009405
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404
N-propyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 63009584
4-(4-cyclopentylpiperazin-1-yl)pentan-2-ol
CID 64720163
N-(3-methoxypropyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63007462
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 62996489
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine
CID 62995232
(3R)-3-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanenitrile
CID 99847353
N-ethyl-3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-amine
CID 63007428

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol?
The IUPAC name of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol (CID 64720827) is 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol.
What is the SMILES notation for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol?
The canonical SMILES for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol is CC(O)CC(C)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol?
The InChIKey is BFOCQRHMVQPAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(11-14(2)18)17-9-5-15(6-10-17)12-16-7-3-4-8-16/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol?
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol has a molecular weight of 254.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-2-ol is sourced from PubChem (CID 64720827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).