benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate

C14H18F2N2O2 — CID 124671693

IUPACbenzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
SMILESO=C(NC[C@H]1CNCCC1(F)F)OCc1ccccc1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)6-7-17-8-12(14)9-18-13(19)20-10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2,(H,18,19)/t12-/m1/s1
InChIKeySCUHCCDILGOUOM-GFCCVEGCSA-N
MW284.31 g/mol
LogP2.16
Rot. Bonds4

About benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate

benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate (PubChem CID 124671693) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
PubChem CID124671693
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Namebenzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate
SMILESO=C(NC[C@H]1CNCCC1(F)F)OCc1ccccc1
InChIInChI=1S/C14H18F2N2O2/c15-14(16)6-7-17-8-12(14)9-18-13(19)20-10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2,(H,18,19)/t12-/m1/s1
InChIKeySCUHCCDILGOUOM-GFCCVEGCSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]carbamate;hydrochloride
CID 168885230
benzyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate
CID 118798402
benzyl N-[[(3S,4S)-3-(trifluoromethyl)piperidin-4-yl]methyl]carbamate
CID 124634254
benzyl N-[[(3S,4S)-4-fluoropyrrolidin-3-yl]methyl]carbamate
CID 131116805
benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
3-benzyl-4,4-difluoropiperidine
CID 84678460
benzyl N-[[(3R)-4-nitrosopyrrolidin-3-yl]methyl]carbamate
CID 91332106
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 117045632
benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate
CID 130114802
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride
CID 134819032
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate (CID 124671693) is benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate is O=C(NC[C@H]1CNCCC1(F)F)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate?
The InChIKey is SCUHCCDILGOUOM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-14(16)6-7-17-8-12(14)9-18-13(19)20-10-11-4-2-1-3-5-11/h1-5,12,17H,6-10H2,(H,18,19)/t12-/m1/s1.
What are the key properties of benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate?
benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate has a molecular weight of 284.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(3R)-4,4-difluoropiperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 124671693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).