3-methyl-2-piperidin-4-ylbutan-1-amine

C10H22N2 — CID 82598281

IUPAC3-methyl-2-piperidin-4-ylbutan-1-amine
SMILESCC(C)C(CN)C1CCNCC1
InChIInChI=1S/C10H22N2/c1-8(2)10(7-11)9-3-5-12-6-4-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyVWYSTQVYGOZJED-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.22
Rot. Bonds3

About 3-methyl-2-piperidin-4-ylbutan-1-amine

3-methyl-2-piperidin-4-ylbutan-1-amine (PubChem CID 82598281) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-methyl-2-piperidin-4-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-piperidin-4-ylbutan-1-amine
PubChem CID82598281
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name3-methyl-2-piperidin-4-ylbutan-1-amine
SMILESCC(C)C(CN)C1CCNCC1
InChIInChI=1S/C10H22N2/c1-8(2)10(7-11)9-3-5-12-6-4-9/h8-10,12H,3-7,11H2,1-2H3
InChIKeyVWYSTQVYGOZJED-UHFFFAOYSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,4-trimethyl-3-piperidin-4-ylpentan-1-amine
CID 83909799
4-methyl-2-piperidin-4-ylpentan-1-amine
CID 54593202
4-[(2R)-3,3-dimethylbutan-2-yl]piperidine
CID 146228118
(2R)-4,4-dimethyl-2-piperidin-4-ylpentan-1-amine
CID 95241778
4-[(2S)-3-methylbutan-2-yl]piperidine
CID 126758303
4-(3,4-dimethylpentan-2-yl)piperidine
CID 131198320
(2R)-4-ethyl-2-piperidin-4-ylhexan-1-amine
CID 95241788
4-[(1R)-1-fluoroethyl]piperidine
CID 124547551
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
2-pyrrolidin-3-ylbutan-1-amine
CID 82594434
1-fluoro-1-piperidin-4-ylpropan-2-amine
CID 105431459
4-[(1R)-1-methoxyethyl]piperidine
CID 95732416

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-piperidin-4-ylbutan-1-amine?
The IUPAC name of 3-methyl-2-piperidin-4-ylbutan-1-amine (CID 82598281) is 3-methyl-2-piperidin-4-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-piperidin-4-ylbutan-1-amine?
The canonical SMILES for 3-methyl-2-piperidin-4-ylbutan-1-amine is CC(C)C(CN)C1CCNCC1.
What is the InChIKey of 3-methyl-2-piperidin-4-ylbutan-1-amine?
The InChIKey is VWYSTQVYGOZJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-8(2)10(7-11)9-3-5-12-6-4-9/h8-10,12H,3-7,11H2,1-2H3.
What are the key properties of 3-methyl-2-piperidin-4-ylbutan-1-amine?
3-methyl-2-piperidin-4-ylbutan-1-amine has a molecular weight of 170.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-piperidin-4-ylbutan-1-amine is sourced from PubChem (CID 82598281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).