2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride

C8H15ClN2 — CID 175981962

IUPAC2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride
SMILESC[C@@]1(CC#N)CCCNC1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-8(4-5-9)3-2-6-10-7-8;/h10H,2-4,6-7H2,1H3;1H/t8-;/m0./s1
InChIKeyTWJCZTOAPUOGTG-QRPNPIFTSA-N
MW174.67 g/mol
LogP1.71
Rot. Bonds1

About 2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride

2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride (PubChem CID 175981962) has the molecular formula C8H15ClN2 and a molecular weight of 174.67 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride
PubChem CID175981962
Molecular FormulaC8H15ClN2
Molecular Weight174.67 g/mol
Exact Mass174.09
IUPAC Name2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride
SMILESC[C@@]1(CC#N)CCCNC1.Cl
InChIInChI=1S/C8H14N2.ClH/c1-8(4-5-9)3-2-6-10-7-8;/h10H,2-4,6-7H2,1H3;1H/t8-;/m0./s1
InChIKeyTWJCZTOAPUOGTG-QRPNPIFTSA-N
XLogP1.71
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.67
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride?
The IUPAC name of 2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride (CID 175981962) is 2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride.
What is the SMILES notation for 2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride?
The canonical SMILES for 2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride is C[C@@]1(CC#N)CCCNC1.Cl.
What is the InChIKey of 2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride?
The InChIKey is TWJCZTOAPUOGTG-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H14N2.ClH/c1-8(4-5-9)3-2-6-10-7-8;/h10H,2-4,6-7H2,1H3;1H/t8-;/m0./s1.
What are the key properties of 2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride?
2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride has a molecular weight of 174.67 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride is sourced from PubChem (CID 175981962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).