(3S)-piperidin-3-amine;hydrate

C5H14N2O — CID 90355913

IUPAC(3S)-piperidin-3-amine;hydrate
SMILESN[C@H]1CCCNC1.O
InChIInChI=1S/C5H12N2.H2O/c6-5-2-1-3-7-4-5;/h5,7H,1-4,6H2;1H2/t5-;/m0./s1
InChIKeySMXNDQGGQAKTKY-JEDNCBNOSA-N
MW118.18 g/mol
LogP-1.13
Rot. Bonds

About (3S)-piperidin-3-amine;hydrate

(3S)-piperidin-3-amine;hydrate (PubChem CID 90355913) has the molecular formula C5H14N2O and a molecular weight of 118.18 g/mol. Its IUPAC name is (3S)-piperidin-3-amine;hydrate.

Molecular Properties

Compound Name(3S)-piperidin-3-amine;hydrate
PubChem CID90355913
Molecular FormulaC5H14N2O
Molecular Weight118.18 g/mol
Exact Mass118.11
IUPAC Name(3S)-piperidin-3-amine;hydrate
SMILESN[C@H]1CCCNC1.O
InChIInChI=1S/C5H12N2.H2O/c6-5-2-1-3-7-4-5;/h5,7H,1-4,6H2;1H2/t5-;/m0./s1
InChIKeySMXNDQGGQAKTKY-JEDNCBNOSA-N
XLogP-1.13
TPSA69.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

piperidin-3-amine;hydrate
CID 90355910
(3S)-azepan-3-amine
CID 7145038
(3S)-azepan-3-amine;dihydrochloride
CID 52952863
azepan-4-amine;dihydrochloride
CID 118989390
4-aminoazepane-3-carbaldehyde
CID 174422749
(3S)-4-methylazepan-3-amine
CID 155145613
piperidin-3-ylmethanamine;trihydrochloride
CID 69122569
(2R,3R)-2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;(3R)-piperidin-3-amine
CID 131732961
1-piperidin-3-ylpiperidin-4-amine
CID 53414003
ethane;3-methylpiperidine;hydrate
CID 142361877
methanamine;3-methylpiperidine
CID 178081150
(3S)-3-methylpiperidine;oxan-4-amine
CID 142432320

Frequently Asked Questions

What is the IUPAC name of (3S)-piperidin-3-amine;hydrate?
The IUPAC name of (3S)-piperidin-3-amine;hydrate (CID 90355913) is (3S)-piperidin-3-amine;hydrate.
What is the SMILES notation for (3S)-piperidin-3-amine;hydrate?
The canonical SMILES for (3S)-piperidin-3-amine;hydrate is N[C@H]1CCCNC1.O.
What is the InChIKey of (3S)-piperidin-3-amine;hydrate?
The InChIKey is SMXNDQGGQAKTKY-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H12N2.H2O/c6-5-2-1-3-7-4-5;/h5,7H,1-4,6H2;1H2/t5-;/m0./s1.
What are the key properties of (3S)-piperidin-3-amine;hydrate?
(3S)-piperidin-3-amine;hydrate has a molecular weight of 118.18 g/mol, XLogP of -1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-piperidin-3-amine;hydrate is sourced from PubChem (CID 90355913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).