N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide

C14H17ClF2N2O — CID 143532108

IUPACN-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide
SMILESO=CNCC1CCN(c2ccc(Cl)c(C(F)F)c2)CC1
InChIInChI=1S/C14H17ClF2N2O/c15-13-2-1-11(7-12(13)14(16)17)19-5-3-10(4-6-19)8-18-9-20/h1-2,7,9-10,14H,3-6,8H2,(H,18,20)
InChIKeyVEKAPZKRQCGRMB-UHFFFAOYSA-N
MW302.75 g/mol
LogP3.24
Rot. Bonds5

About N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide

N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide (PubChem CID 143532108) has the molecular formula C14H17ClF2N2O and a molecular weight of 302.75 g/mol. Its IUPAC name is N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide
PubChem CID143532108
Molecular FormulaC14H17ClF2N2O
Molecular Weight302.75 g/mol
Exact Mass302.10
IUPAC NameN-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide
SMILESO=CNCC1CCN(c2ccc(Cl)c(C(F)F)c2)CC1
InChIInChI=1S/C14H17ClF2N2O/c15-13-2-1-11(7-12(13)14(16)17)19-5-3-10(4-6-19)8-18-9-20/h1-2,7,9-10,14H,3-6,8H2,(H,18,20)
InChIKeyVEKAPZKRQCGRMB-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide?
The IUPAC name of N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide (CID 143532108) is N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide.
What is the SMILES notation for N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide?
The canonical SMILES for N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide is O=CNCC1CCN(c2ccc(Cl)c(C(F)F)c2)CC1.
What is the InChIKey of N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide?
The InChIKey is VEKAPZKRQCGRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N2O/c15-13-2-1-11(7-12(13)14(16)17)19-5-3-10(4-6-19)8-18-9-20/h1-2,7,9-10,14H,3-6,8H2,(H,18,20).
What are the key properties of N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide?
N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide has a molecular weight of 302.75 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-chloro-3-(difluoromethyl)phenyl]piperidin-4-yl]methyl]formamide is sourced from PubChem (CID 143532108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).