1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine

C15H21ClN2 — CID 10778059

IUPAC1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine
SMILES[H]/N=C(\C)c1cc(Cl)ccc1N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C15H21ClN2/c1-10-6-11(2)9-18(8-10)15-5-4-13(16)7-14(15)12(3)17/h4-5,7,10-11,17H,6,8-9H2,1-3H3/b17-12+/t10-,11+
InChIKeyWQDWRHUVKGLPCI-GEWUBVFTSA-N
MW264.80 g/mol
LogP4.21
Rot. Bonds2

About 1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine

1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine (PubChem CID 10778059) has the molecular formula C15H21ClN2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine.

Molecular Properties

Compound Name1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine
PubChem CID10778059
Molecular FormulaC15H21ClN2
Molecular Weight264.80 g/mol
Exact Mass264.14
IUPAC Name1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine
SMILES[H]/N=C(\C)c1cc(Cl)ccc1N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C15H21ClN2/c1-10-6-11(2)9-18(8-10)15-5-4-13(16)7-14(15)12(3)17/h4-5,7,10-11,17H,6,8-9H2,1-3H3/b17-12+/t10-,11+
InChIKeyWQDWRHUVKGLPCI-GEWUBVFTSA-N
XLogP4.21
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(3,5-dimethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76944937
5-chloro-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]aniline
CID 28605520
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678819
4-[2-[[5-chloro-2-(3,5-dimethylpiperidin-1-yl)benzoyl]amino]ethyl]benzoic acid
CID 12919525
methyl 4-[2-[[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]benzoyl]amino]ethyl]benzoate
CID 10670234
5-[(4-chlorobenzoyl)amino]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]benzoic acid
CID 7179760
4-chloro-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 63094021
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanol
CID 43121084
1-[2-chloro-4-(chloromethyl)phenyl]-3,5-dimethylpiperidine
CID 81152361
5-chloro-2-(4-propan-2-ylpiperazin-1-yl)benzenecarboximidamide
CID 62492919
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine?
The IUPAC name of 1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine (CID 10778059) is 1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine.
What is the SMILES notation for 1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine?
The canonical SMILES for 1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine is [H]/N=C(\C)c1cc(Cl)ccc1N1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of 1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine?
The InChIKey is WQDWRHUVKGLPCI-GEWUBVFTSA-N. The full InChI is InChI=1S/C15H21ClN2/c1-10-6-11(2)9-18(8-10)15-5-4-13(16)7-14(15)12(3)17/h4-5,7,10-11,17H,6,8-9H2,1-3H3/b17-12+/t10-,11+.
What are the key properties of 1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine?
1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine has a molecular weight of 264.80 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]ethanimine is sourced from PubChem (CID 10778059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).