1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride

C8H17ClN2O — CID 172646124

IUPAC1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCN[C@H]1CCCN(C(C)=O)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-7(11)10-5-3-4-8(6-10)9-2;/h8-9H,3-6H2,1-2H3;1H/t8-;/m0./s1
InChIKeyQDTRDQCYAYZULZ-QRPNPIFTSA-N
MW192.69 g/mol
LogP0.64
Rot. Bonds1

About 1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride

1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 172646124) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID172646124
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCN[C@H]1CCCN(C(C)=O)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-7(11)10-5-3-4-8(6-10)9-2;/h8-9H,3-6H2,1-2H3;1H/t8-;/m0./s1
InChIKeyQDTRDQCYAYZULZ-QRPNPIFTSA-N
XLogP0.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 172646124) is 1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CN[C@H]1CCCN(C(C)=O)C1.Cl.
What is the InChIKey of 1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is QDTRDQCYAYZULZ-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-7(11)10-5-3-4-8(6-10)9-2;/h8-9H,3-6H2,1-2H3;1H/t8-;/m0./s1.
What are the key properties of 1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 172646124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).