1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride

C15H20ClN3O2 — CID 119469596

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H19N3O2.ClH/c16-10-11-5-3-4-8-18(11)15(19)9-13-12-6-1-2-7-14(12)20-17-13;/h1-2,6-7,11H,3-5,8-10,16H2;1H
InChIKeyDQKCYDJZYZOHGK-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.13
Rot. Bonds3

About 1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride

1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride (PubChem CID 119469596) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride
PubChem CID119469596
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride
SMILESCl.NCC1CCCCN1C(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H19N3O2.ClH/c16-10-11-5-3-4-8-18(11)15(19)9-13-12-6-1-2-7-14(12)20-17-13;/h1-2,6-7,11H,3-5,8-10,16H2;1H
InChIKeyDQKCYDJZYZOHGK-UHFFFAOYSA-N
XLogP2.13
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43421293
2-(1,2-benzoxazol-3-yl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61410913
3-amino-N-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidin-2-yl]methyl]propanamide
CID 120580063
1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 16789710
2-(1,2-benzoxazol-3-yl)-1-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 97254701
1-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 115491768
1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone
CID 41105399
1-[2-(1,2-benzoxazol-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600515
2-(1,2-benzoxazol-3-yl)-1-(3-bromopiperidin-1-yl)ethanone
CID 80659996
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,5-diethyl-1,2-oxazol-4-yl)ethanone;hydrochloride
CID 119466989
2-(1,2-benzoxazol-3-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224813
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119469689

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride (CID 119469596) is 1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride is Cl.NCC1CCCCN1C(=O)Cc1noc2ccccc12.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride?
The InChIKey is DQKCYDJZYZOHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c16-10-11-5-3-4-8-18(11)15(19)9-13-12-6-1-2-7-14(12)20-17-13;/h1-2,6-7,11H,3-5,8-10,16H2;1H.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride?
1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2-(1,2-benzoxazol-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 119469596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).