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

C17H29ClN2O — CID 120728273

IUPAC2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(C)Oc1cccc(CN2CCCC(CCN)C2)c1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-14(2)20-17-7-3-5-16(11-17)13-19-10-4-6-15(12-19)8-9-18;/h3,5,7,11,14-15H,4,6,8-10,12-13,18H2,1-2H3;1H
InChIKeyOSRGGJVDAJERHQ-UHFFFAOYSA-N
MW312.88 g/mol
LogP3.46
Rot. Bonds6

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

2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728273) has the molecular formula C17H29ClN2O and a molecular weight of 312.88 g/mol. Its IUPAC name is 2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728273
Molecular FormulaC17H29ClN2O
Molecular Weight312.88 g/mol
Exact Mass312.20
IUPAC Name2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCC(C)Oc1cccc(CN2CCCC(CCN)C2)c1.Cl
InChIInChI=1S/C17H28N2O.ClH/c1-14(2)20-17-7-3-5-16(11-17)13-19-10-4-6-15(12-19)8-9-18;/h3,5,7,11,14-15H,4,6,8-10,12-13,18H2,1-2H3;1H
InChIKeyOSRGGJVDAJERHQ-UHFFFAOYSA-N
XLogP3.46
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.88
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915719
2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728409
(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
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
2-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728608
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728273) is 2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is CC(C)Oc1cccc(CN2CCCC(CCN)C2)c1.Cl.
What is the InChIKey of 2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is OSRGGJVDAJERHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.ClH/c1-14(2)20-17-7-3-5-16(11-17)13-19-10-4-6-15(12-19)8-9-18;/h3,5,7,11,14-15H,4,6,8-10,12-13,18H2,1-2H3;1H.
What are the key properties of 2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 312.88 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).