[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone

C12H22N2O2 — CID 62759775

IUPAC[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone
SMILESNCC1CCCN(C(=O)C2CCCOC2)C1
InChIInChI=1S/C12H22N2O2/c13-7-10-3-1-5-14(8-10)12(15)11-4-2-6-16-9-11/h10-11H,1-9,13H2
InChIKeyQRVBIDGIXGVYSX-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.61
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone

[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone (PubChem CID 62759775) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone
PubChem CID62759775
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone
SMILESNCC1CCCN(C(=O)C2CCCOC2)C1
InChIInChI=1S/C12H22N2O2/c13-7-10-3-1-5-14(8-10)12(15)11-4-2-6-16-9-11/h10-11H,1-9,13H2
InChIKeyQRVBIDGIXGVYSX-UHFFFAOYSA-N
XLogP0.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone;hydrochloride
CID 119464992
[3-(aminomethyl)pyrrolidin-1-yl]-(oxan-3-yl)methanone
CID 62759965
2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
CID 62759578
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
[3-(aminomethyl)azepan-1-yl]-cyclopropylmethanone
CID 130577977
(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone
CID 62760326
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81118874
[3-(aminomethyl)piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595296
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone (CID 62759775) is [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone is NCC1CCCN(C(=O)C2CCCOC2)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone?
The InChIKey is QRVBIDGIXGVYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-7-10-3-1-5-14(8-10)12(15)11-4-2-6-16-9-11/h10-11H,1-9,13H2.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone?
[3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 62759775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).