2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride

C14H24ClF2NO2 — CID 174645034

IUPAC2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCNC(CC2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H23F2NO2.ClH/c15-14(16)4-1-10(2-5-14)7-12-8-11(3-6-17-12)9-13(18)19;/h10-12,17H,1-9H2,(H,18,19);1H
InChIKeyAWTBMKOPCCANSZ-UHFFFAOYSA-N
MW311.80 g/mol
LogP3.47
Rot. Bonds4

About 2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride

2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride (PubChem CID 174645034) has the molecular formula C14H24ClF2NO2 and a molecular weight of 311.80 g/mol. Its IUPAC name is 2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride
PubChem CID174645034
Molecular FormulaC14H24ClF2NO2
Molecular Weight311.80 g/mol
Exact Mass311.15
IUPAC Name2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCNC(CC2CCC(F)(F)CC2)C1
InChIInChI=1S/C14H23F2NO2.ClH/c15-14(16)4-1-10(2-5-14)7-12-8-11(3-6-17-12)9-13(18)19;/h10-12,17H,1-9H2,(H,18,19);1H
InChIKeyAWTBMKOPCCANSZ-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.80
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride (CID 174645034) is 2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride is Cl.O=C(O)CC1CCNC(CC2CCC(F)(F)CC2)C1.
What is the InChIKey of 2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride?
The InChIKey is AWTBMKOPCCANSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2.ClH/c15-14(16)4-1-10(2-5-14)7-12-8-11(3-6-17-12)9-13(18)19;/h10-12,17H,1-9H2,(H,18,19);1H.
What are the key properties of 2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride?
2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride has a molecular weight of 311.80 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride is sourced from PubChem (CID 174645034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).