1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride

C16H27ClN2O — CID 119920705

IUPAC1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCOc1ccc(C)cc1CN1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12-4-5-16(19-3)15(10-12)11-18-8-6-14(7-9-18)13(2)17;/h4-5,10,13-14H,6-9,11,17H2,1-3H3;1H
InChIKeyAUWSWKFUHYXSDC-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.98
Rot. Bonds4

About 1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride

1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119920705) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
PubChem CID119920705
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCOc1ccc(C)cc1CN1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12-4-5-16(19-3)15(10-12)11-18-8-6-14(7-9-18)13(2)17;/h4-5,10,13-14H,6-9,11,17H2,1-3H3;1H
InChIKeyAUWSWKFUHYXSDC-UHFFFAOYSA-N
XLogP2.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975675
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 62155983
N'-hydroxy-1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboximidamide
CID 77039199
1-[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 106835457
N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
3-[(2-methoxy-5-methylphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927453
N-[(1S)-1-cyclopropylethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997868
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride (CID 119920705) is 1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride is COc1ccc(C)cc1CN1CCC(C(C)N)CC1.Cl.
What is the InChIKey of 1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is AUWSWKFUHYXSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-12-4-5-16(19-3)15(10-12)11-18-8-6-14(7-9-18)13(2)17;/h4-5,10,13-14H,6-9,11,17H2,1-3H3;1H.
What are the key properties of 1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119920705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).