(3S)-3-methylpiperidine;oxan-4-amine

C11H24N2O — CID 142432320

IUPAC(3S)-3-methylpiperidine;oxan-4-amine
SMILESC[C@H]1CCCNC1.NC1CCOCC1
InChIInChI=1S/C6H13N.C5H11NO/c1-6-3-2-4-7-5-6;6-5-1-3-7-4-2-5/h6-7H,2-5H2,1H3;5H,1-4,6H2/t6-;/m0./s1
InChIKeyGPEGJJBMAFGBPR-RGMNGODLSA-N
MW200.33 g/mol
LogP1.13
Rot. Bonds

About (3S)-3-methylpiperidine;oxan-4-amine

(3S)-3-methylpiperidine;oxan-4-amine (PubChem CID 142432320) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (3S)-3-methylpiperidine;oxan-4-amine.

Molecular Properties

Compound Name(3S)-3-methylpiperidine;oxan-4-amine
PubChem CID142432320
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(3S)-3-methylpiperidine;oxan-4-amine
SMILESC[C@H]1CCCNC1.NC1CCOCC1
InChIInChI=1S/C6H13N.C5H11NO/c1-6-3-2-4-7-5-6;6-5-1-3-7-4-2-5/h6-7H,2-5H2,1H3;5H,1-4,6H2/t6-;/m0./s1
InChIKeyGPEGJJBMAFGBPR-RGMNGODLSA-N
XLogP1.13
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methanamine;3-methylpiperidine
CID 178081150
ethane;(3S)-3-methylpiperidine
CID 144634573
ethane;3-methylpiperidine;hydrate
CID 142361877
3-methylazepane
CID 14291801
1,4-dimethylpiperidine;4-methylcyclohexan-1-ol;4-methyloxane;3-methylpiperidine
CID 168890464
2-methylpiperidine;oxan-4-amine
CID 142432277
oxan-4-amine;pentakis(yttrium)
CID 158916020
3-methyl-1-(oxan-4-ylmethyl)-1,5-diazocane
CID 63712685
cyclopropanamine;morpholine
CID 174846100
2-cyanoguanidine;3-methylpiperidine
CID 130442393
3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845728
methylcyclobutane;methylcyclohexane;3-methyloxane;3-methyloxolane;4-methylpiperidine;3-methylpyrrolidine
CID 161332742

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylpiperidine;oxan-4-amine?
The IUPAC name of (3S)-3-methylpiperidine;oxan-4-amine (CID 142432320) is (3S)-3-methylpiperidine;oxan-4-amine.
What is the SMILES notation for (3S)-3-methylpiperidine;oxan-4-amine?
The canonical SMILES for (3S)-3-methylpiperidine;oxan-4-amine is C[C@H]1CCCNC1.NC1CCOCC1.
What is the InChIKey of (3S)-3-methylpiperidine;oxan-4-amine?
The InChIKey is GPEGJJBMAFGBPR-RGMNGODLSA-N. The full InChI is InChI=1S/C6H13N.C5H11NO/c1-6-3-2-4-7-5-6;6-5-1-3-7-4-2-5/h6-7H,2-5H2,1H3;5H,1-4,6H2/t6-;/m0./s1.
What are the key properties of (3S)-3-methylpiperidine;oxan-4-amine?
(3S)-3-methylpiperidine;oxan-4-amine has a molecular weight of 200.33 g/mol, XLogP of 1.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpiperidine;oxan-4-amine is sourced from PubChem (CID 142432320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).