(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine

C10H18F2N2 — CID 130630857

IUPAC(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
SMILESFC1(F)CCN(C[C@@H]2CCCNC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)3-5-14(8-10)7-9-2-1-4-13-6-9/h9,13H,1-8H2/t9-/m1/s1
InChIKeyIBSNPTYRXNSPFP-SECBINFHSA-N
MW204.26 g/mol
LogP1.33
Rot. Bonds2

About (3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine

(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine (PubChem CID 130630857) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is (3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
PubChem CID130630857
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine
SMILESFC1(F)CCN(C[C@@H]2CCCNC2)C1
InChIInChI=1S/C10H18F2N2/c11-10(12)3-5-14(8-10)7-9-2-1-4-13-6-9/h9,13H,1-8H2/t9-/m1/s1
InChIKeyIBSNPTYRXNSPFP-SECBINFHSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-1-(piperidin-3-ylmethyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 120858328
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
3,3-difluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 120849326
3,3-difluoro-1-(2-pyrrolidin-3-ylethyl)pyrrolidine
CID 116991563
3,3-difluoro-1-(piperidin-4-ylmethyl)piperidine
CID 115030744
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705
3-methyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120849955
3,3-dimethyl-1-(piperidin-3-ylmethyl)piperidin-4-ol
CID 120848601
9-(piperidin-3-ylmethyl)-6-oxa-9-azaspiro[3.6]decane
CID 120856412
2-(piperidin-3-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane;hydrochloride
CID 119931803
4-fluoro-4-methyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 115022041
2-(piperidin-3-ylmethyl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677882

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine?
The IUPAC name of (3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine (CID 130630857) is (3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine?
The canonical SMILES for (3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine is FC1(F)CCN(C[C@@H]2CCCNC2)C1.
What is the InChIKey of (3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine?
The InChIKey is IBSNPTYRXNSPFP-SECBINFHSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)3-5-14(8-10)7-9-2-1-4-13-6-9/h9,13H,1-8H2/t9-/m1/s1.
What are the key properties of (3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine?
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine has a molecular weight of 204.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine is sourced from PubChem (CID 130630857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).