[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride

C16H27ClN2O — CID 119915719

IUPAC[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCC(C)Oc1cccc(CN2CCCC(CN)C2)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13(2)19-16-7-3-5-14(9-16)11-18-8-4-6-15(10-17)12-18;/h3,5,7,9,13,15H,4,6,8,10-12,17H2,1-2H3;1H
InChIKeyYKQAHNXTGYTRHW-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.07
Rot. Bonds5

About [1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride

[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119915719) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is [1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID119915719
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCC(C)Oc1cccc(CN2CCCC(CN)C2)c1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-13(2)19-16-7-3-5-14(9-16)11-18-8-4-6-15(10-17)12-18;/h3,5,7,9,13,15H,4,6,8,10-12,17H2,1-2H3;1H
InChIKeyYKQAHNXTGYTRHW-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728273
(3R)-1-[[3-(difluoromethoxy)phenyl]methyl]-3-ethylpiperidine
CID 145119200
3-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 79880248
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
3,3-dimethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 120774958
[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-3-yl]methanamine
CID 54794603
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928485
(3aR,6aS)-5-[(3-propan-2-yloxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660913
(1-benzylazepan-3-yl)methanamine
CID 15718476

Frequently Asked Questions

What is the IUPAC name of [1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride (CID 119915719) is [1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride is CC(C)Oc1cccc(CN2CCCC(CN)C2)c1.Cl.
What is the InChIKey of [1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is YKQAHNXTGYTRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-13(2)19-16-7-3-5-14(9-16)11-18-8-4-6-15(10-17)12-18;/h3,5,7,9,13,15H,4,6,8,10-12,17H2,1-2H3;1H.
What are the key properties of [1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119915719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).