[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride

C11H22ClFN2O — CID 120858328

IUPAC[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(F)CCN(CC2CCCNC2)C1
InChIInChI=1S/C11H21FN2O.ClH/c12-11(9-15)3-5-14(8-11)7-10-2-1-4-13-6-10;/h10,13,15H,1-9H2;1H
InChIKeyPFAMFNYNOMRVRF-UHFFFAOYSA-N
MW252.76 g/mol
LogP0.81
Rot. Bonds3

About [3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride

[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride (PubChem CID 120858328) has the molecular formula C11H22ClFN2O and a molecular weight of 252.76 g/mol. Its IUPAC name is [3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
PubChem CID120858328
Molecular FormulaC11H22ClFN2O
Molecular Weight252.76 g/mol
Exact Mass252.14
IUPAC Name[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OCC1(F)CCN(CC2CCCNC2)C1
InChIInChI=1S/C11H21FN2O.ClH/c12-11(9-15)3-5-14(8-11)7-10-2-1-4-13-6-10;/h10,13,15H,1-9H2;1H
InChIKeyPFAMFNYNOMRVRF-UHFFFAOYSA-N
XLogP0.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.76
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
CID 130630857
[3-fluoro-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 130719897
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
[1-(cyclopropylmethyl)-3-fluoropiperidin-3-yl]methanol
CID 130666200
3-methyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120849955
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 120849326
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
CID 120848601
2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
CID 119931803
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
5-(piperidin-3-ylmethyl)-5-azaspiro[3.4]octane;hydrochloride
CID 120858012

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The IUPAC name of [3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride (CID 120858328) is [3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride is Cl.OCC1(F)CCN(CC2CCCNC2)C1.
What is the InChIKey of [3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride?
The InChIKey is PFAMFNYNOMRVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O.ClH/c12-11(9-15)3-5-14(8-11)7-10-2-1-4-13-6-10;/h10,13,15H,1-9H2;1H.
What are the key properties of [3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride?
[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride has a molecular weight of 252.76 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 120858328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).