N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine

C18H27ClN2 — CID 126763120

IUPACN-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine
SMILESCC/C=C(/C)N(Cc1ccc(Cl)cc1)C1CCN(C)CC1
InChIInChI=1S/C18H27ClN2/c1-4-5-15(2)21(18-10-12-20(3)13-11-18)14-16-6-8-17(19)9-7-16/h5-9,18H,4,10-14H2,1-3H3/b15-5-
InChIKeyXILHSSWWKMBVCI-WCSRMQSCSA-N
MW306.88 g/mol
LogP4.55
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine

N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine (PubChem CID 126763120) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine
PubChem CID126763120
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC NameN-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine
SMILESCC/C=C(/C)N(Cc1ccc(Cl)cc1)C1CCN(C)CC1
InChIInChI=1S/C18H27ClN2/c1-4-5-15(2)21(18-10-12-20(3)13-11-18)14-16-6-8-17(19)9-7-16/h5-9,18H,4,10-14H2,1-3H3/b15-5-
InChIKeyXILHSSWWKMBVCI-WCSRMQSCSA-N
XLogP4.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine (CID 126763120) is N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine is CC/C=C(/C)N(Cc1ccc(Cl)cc1)C1CCN(C)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine?
The InChIKey is XILHSSWWKMBVCI-WCSRMQSCSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-4-5-15(2)21(18-10-12-20(3)13-11-18)14-16-6-8-17(19)9-7-16/h5-9,18H,4,10-14H2,1-3H3/b15-5-.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine?
N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine has a molecular weight of 306.88 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-methyl-N-[(Z)-pent-2-en-2-yl]piperidin-4-amine is sourced from PubChem (CID 126763120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).