1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine

C14H18ClN — CID 123291998

IUPAC1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine
SMILESC=C(c1cccc(Cl)c1)N1CCCCC1C
InChIInChI=1S/C14H18ClN/c1-11-6-3-4-9-16(11)12(2)13-7-5-8-14(15)10-13/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKeyBMQZLYFVGAVICX-UHFFFAOYSA-N
MW235.76 g/mol
LogP4.19
Rot. Bonds2

About 1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine

1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine (PubChem CID 123291998) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine
PubChem CID123291998
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine
SMILESC=C(c1cccc(Cl)c1)N1CCCCC1C
InChIInChI=1S/C14H18ClN/c1-11-6-3-4-9-16(11)12(2)13-7-5-8-14(15)10-13/h5,7-8,10-11H,2-4,6,9H2,1H3
InChIKeyBMQZLYFVGAVICX-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
2-(3-chloro-N-(2-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 61188614
1-chloro-3-[1-(3-chlorophenyl)ethenyl]benzene
CID 10243768
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
(3-aminophenyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 119676366
2-[2-(3-chlorophenoxy)ethylsulfanyl]-1-(2-methylpiperidin-1-yl)ethanone
CID 112768953
(3-bromo-5-chlorophenyl)-(2-methylazepan-1-yl)methanone
CID 114019994
2-[1-(3-chlorobenzoyl)piperidin-2-yl]cyclopentan-1-one
CID 79539412
N,N-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 8502446
3-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 2553523

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine?
The IUPAC name of 1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine (CID 123291998) is 1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine is C=C(c1cccc(Cl)c1)N1CCCCC1C.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine?
The InChIKey is BMQZLYFVGAVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-11-6-3-4-9-16(11)12(2)13-7-5-8-14(15)10-13/h5,7-8,10-11H,2-4,6,9H2,1H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine?
1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine has a molecular weight of 235.76 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethenyl]-2-methylpiperidine is sourced from PubChem (CID 123291998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).