N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine

C19H21ClFN3 — CID 13431726

IUPACN-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1F)c1cc(Cl)ccc1NC1CCN(C)CC1
InChIInChI=1S/C19H21ClFN3/c1-24-10-8-14(9-11-24)23-18-7-6-13(20)12-16(18)19(22)15-4-2-3-5-17(15)21/h2-7,12,14,22-23H,8-11H2,1H3/b22-19+
InChIKeyMSYQCPCKDUGSJZ-ZBJSNUHESA-N
MW345.85 g/mol
LogP4.40
Rot. Bonds4

About N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine

N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine (PubChem CID 13431726) has the molecular formula C19H21ClFN3 and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
PubChem CID13431726
Molecular FormulaC19H21ClFN3
Molecular Weight345.85 g/mol
Exact Mass345.14
IUPAC NameN-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1F)c1cc(Cl)ccc1NC1CCN(C)CC1
InChIInChI=1S/C19H21ClFN3/c1-24-10-8-14(9-11-24)23-18-7-6-13(20)12-16(18)19(22)15-4-2-3-5-17(15)21/h2-7,12,14,22-23H,8-11H2,1H3/b22-19+
InChIKeyMSYQCPCKDUGSJZ-ZBJSNUHESA-N
XLogP4.40
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2-Chloro-9,10-dihydro-N,N-dimethyl-9-acridinepropanamine
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7-Chloro-5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
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N-(3-chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 52934004
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrochloride (1:2)
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Desmethylmedazepam
CID 15539
3,8-dichloro-6-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-11H-benzo[b][1,4]benzodiazepine
CID 149506840
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CID 162655154
3-chloro-6-[(6S)-1,6-dimethyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-11H-benzo[b][1,4]benzodiazepine
CID 162657549
9-chloro-7-(2-chlorophenyl)-3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
CID 12665675
7-chloro-5-(2-fluorophenyl)-1-piperidin-4-yl-3H-1,4-benzodiazepin-2-one
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine (CID 13431726) is N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine is [H]/N=C(\c1ccccc1F)c1cc(Cl)ccc1NC1CCN(C)CC1.
What is the InChIKey of N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
The InChIKey is MSYQCPCKDUGSJZ-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H21ClFN3/c1-24-10-8-14(9-11-24)23-18-7-6-13(20)12-16(18)19(22)15-4-2-3-5-17(15)21/h2-7,12,14,22-23H,8-11H2,1H3/b22-19+.
What are the key properties of N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine has a molecular weight of 345.85 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 13431726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).