N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine

C17H27ClN2 — CID 63527672

IUPACN-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-14(2)11-19-12-17-5-3-4-10-20(17)13-15-6-8-16(18)9-7-15/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyWDRAONZRHWCWPS-UHFFFAOYSA-N
MW294.87 g/mol
LogP3.94
Rot. Bonds6

About N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63527672) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID63527672
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H27ClN2/c1-14(2)11-19-12-17-5-3-4-10-20(17)13-15-6-8-16(18)9-7-15/h6-9,14,17,19H,3-5,10-13H2,1-2H3
InChIKeyWDRAONZRHWCWPS-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 103038258
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63528020
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62581300
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62579834
N-[[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 79697599
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
N-[[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 105371975
N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 62581106
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 55220031
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
CID 62580066

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine (CID 63527672) is N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WDRAONZRHWCWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-14(2)11-19-12-17-5-3-4-10-20(17)13-15-6-8-16(18)9-7-15/h6-9,14,17,19H,3-5,10-13H2,1-2H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.87 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63527672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).