[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone

C15H22N2O2 — CID 82830805

IUPAC[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CC(CN)CCC1C
InChIInChI=1S/C15H22N2O2/c1-10-6-7-12(8-16)9-17(10)15(19)13-4-3-5-14(18)11(13)2/h3-5,10,12,18H,6-9,16H2,1-2H3
InChIKeyYHSCGHBXKIPWJF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.90
Rot. Bonds2

About [5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone

[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 82830805) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
PubChem CID82830805
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CC(CN)CCC1C
InChIInChI=1S/C15H22N2O2/c1-10-6-7-12(8-16)9-17(10)15(19)13-4-3-5-14(18)11(13)2/h3-5,10,12,18H,6-9,16H2,1-2H3
InChIKeyYHSCGHBXKIPWJF-UHFFFAOYSA-N
XLogP1.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107728737
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 115491945
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methyl-2-nitrophenyl)methanone
CID 65462246
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114821986
[5-(aminomethyl)-2-methylpiperidin-1-yl]-[1-(2,2,2-trifluoroethyl)pyrrol-2-yl]methanone
CID 114610349
1-[(2S,5S)-5-(aminomethyl)-2-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 174081766
(2-bromophenyl)-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 112734433
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 104615552
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120809
[4-(cyclopropylmethyl)piperazin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82829563
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (CID 82830805) is [5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CC(CN)CCC1C.
What is the InChIKey of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is YHSCGHBXKIPWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-7-12(8-16)9-17(10)15(19)13-4-3-5-14(18)11(13)2/h3-5,10,12,18H,6-9,16H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 82830805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).