4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline

C22H25Cl2N3 — CID 90350077

IUPAC4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline
SMILESC=C(C1CCN(c2ncccc2Cl)CC1)N(CC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25Cl2N3/c1-16(27(15-17-4-5-17)20-8-6-19(23)7-9-20)18-10-13-26(14-11-18)22-21(24)3-2-12-25-22/h2-3,6-9,12,17-18H,1,4-5,10-11,13-15H2
InChIKeySOSWBSPTUMSRSQ-UHFFFAOYSA-N
MW402.37 g/mol
LogP6.04
Rot. Bonds6

About 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline

4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline (PubChem CID 90350077) has the molecular formula C22H25Cl2N3 and a molecular weight of 402.37 g/mol. Its IUPAC name is 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline
PubChem CID90350077
Molecular FormulaC22H25Cl2N3
Molecular Weight402.37 g/mol
Exact Mass401.14
IUPAC Name4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline
SMILESC=C(C1CCN(c2ncccc2Cl)CC1)N(CC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H25Cl2N3/c1-16(27(15-17-4-5-17)20-8-6-19(23)7-9-20)18-10-13-26(14-11-18)22-21(24)3-2-12-25-22/h2-3,6-9,12,17-18H,1,4-5,10-11,13-15H2
InChIKeySOSWBSPTUMSRSQ-UHFFFAOYSA-N
XLogP6.04
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline?
The IUPAC name of 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline (CID 90350077) is 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline.
What is the SMILES notation for 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline?
The canonical SMILES for 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline is C=C(C1CCN(c2ncccc2Cl)CC1)N(CC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline?
The InChIKey is SOSWBSPTUMSRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3/c1-16(27(15-17-4-5-17)20-8-6-19(23)7-9-20)18-10-13-26(14-11-18)22-21(24)3-2-12-25-22/h2-3,6-9,12,17-18H,1,4-5,10-11,13-15H2.
What are the key properties of 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline?
4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline has a molecular weight of 402.37 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethenyl]-N-(cyclopropylmethyl)aniline is sourced from PubChem (CID 90350077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).