1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine

C17H27ClN2 — CID 83982520

IUPAC1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
SMILESCC(C)C(N)CC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(2)17(19)11-16-5-3-4-10-20(16)12-14-6-8-15(18)9-7-14/h6-9,13,16-17H,3-5,10-12,19H2,1-2H3
InChIKeyCTCJGCCWLWGCCH-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.07
Rot. Bonds5

About 1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine

1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine (PubChem CID 83982520) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
PubChem CID83982520
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
SMILESCC(C)C(N)CC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-13(2)17(19)11-16-5-3-4-10-20(16)12-14-6-8-15(18)9-7-14/h6-9,13,16-17H,3-5,10-12,19H2,1-2H3
InChIKeyCTCJGCCWLWGCCH-UHFFFAOYSA-N
XLogP4.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine
CID 83982346
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63527672
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780
1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
CID 83982203
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 80676168
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
2-amino-3-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 83982331
2-(2-bromopropyl)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 112747898
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine (CID 83982520) is 1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine is CC(C)C(N)CC1CCCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine?
The InChIKey is CTCJGCCWLWGCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-13(2)17(19)11-16-5-3-4-10-20(16)12-14-6-8-15(18)9-7-14/h6-9,13,16-17H,3-5,10-12,19H2,1-2H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine?
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine has a molecular weight of 294.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine is sourced from PubChem (CID 83982520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).