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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Related Compounds

N-[[1-[[3-(3,5-dichlorophenyl)-5-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]methyl]piperidin-4-yl]methyl]formamide
CID 176957056
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
2-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]acetyl chloride
CID 148838522
1-(4-chloro-3-methylphenyl)piperidin-4-amine;ethane;propane
CID 145194619
2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid
CID 82298626
2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide
CID 62944524
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
1-[1-[2-(difluoromethyl)-4-nitrophenyl]piperidin-4-yl]-N-methylmethanamine
CID 63735308
N-[[1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55082717
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
methyl 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981420
2-amino-2-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]acetaldehyde
CID 87187264

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).