(3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile

C9H17N3 — CID 153295477

IUPAC(3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile
SMILESCC(C)N1CCC(N)[C@@H](C#N)C1
InChIInChI=1S/C9H17N3/c1-7(2)12-4-3-9(11)8(5-10)6-12/h7-9H,3-4,6,11H2,1-2H3/t8-,9?/m0/s1
InChIKeyAIJMOFCVEFONRQ-IENPIDJESA-N
MW167.26 g/mol
LogP0.57
Rot. Bonds1

About (3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile

(3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile (PubChem CID 153295477) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile
PubChem CID153295477
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile
SMILESCC(C)N1CCC(N)[C@@H](C#N)C1
InChIInChI=1S/C9H17N3/c1-7(2)12-4-3-9(11)8(5-10)6-12/h7-9H,3-4,6,11H2,1-2H3/t8-,9?/m0/s1
InChIKeyAIJMOFCVEFONRQ-IENPIDJESA-N
XLogP0.57
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-amino-1-pentadecan-8-ylpiperidine-3-carbonitrile
CID 134267182
(3R,4R)-3-hydroxy-1-propan-2-ylpiperidine-4-carbonitrile
CID 177091434
(3S,4R)-3-methoxy-1-propan-2-ylpiperidin-4-amine
CID 134168187
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
(1R)-1-[(3R)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 140940785
(3R,4R)-4-amino-1-propan-2-ylpiperidine-3-carboxamide
CID 134267302
2-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 43585250
(1-propan-2-ylpyrrolidin-3-yl)cyanamide
CID 130950441
4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;3-methyl-1-propan-2-ylpyrrolidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;1-propan-2-ylazetidin-3-ol
CID 160827272
2-(4-hydroxy-1-propan-2-ylpiperidin-3-yl)acetonitrile
CID 167226625
2-[(3S)-1-propan-2-ylpyrrolidin-3-yl]ethanamine
CID 94058250
2-[(3R)-4-amino-1-propan-2-ylpiperidin-3-yl]oxyethanol
CID 134177883

Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile?
The IUPAC name of (3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile (CID 153295477) is (3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile.
What is the SMILES notation for (3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile?
The canonical SMILES for (3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile is CC(C)N1CCC(N)[C@@H](C#N)C1.
What is the InChIKey of (3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile?
The InChIKey is AIJMOFCVEFONRQ-IENPIDJESA-N. The full InChI is InChI=1S/C9H17N3/c1-7(2)12-4-3-9(11)8(5-10)6-12/h7-9H,3-4,6,11H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile?
(3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile has a molecular weight of 167.26 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-amino-1-propan-2-ylpiperidine-3-carbonitrile is sourced from PubChem (CID 153295477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).