2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine

C15H31N3 — CID 64679336

IUPAC2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
SMILESCC(C)(N)CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H31N3/c1-15(2,16)8-13-17-11-6-14(7-12-17)18-9-4-3-5-10-18/h14H,3-13,16H2,1-2H3
InChIKeyHQKYMURMVQAEQC-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine

2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine (PubChem CID 64679336) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
PubChem CID64679336
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
SMILESCC(C)(N)CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C15H31N3/c1-15(2,16)8-13-17-11-6-14(7-12-17)18-9-4-3-5-10-18/h14H,3-13,16H2,1-2H3
InChIKeyHQKYMURMVQAEQC-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azocan-1-yl)-2-methylbutan-2-amine
CID 64678909
2,2-dimethyl-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 65248275
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutan-2-amine
CID 64682484
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-piperidin-1-ylpiperidine
CID 56822093
2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine
CID 61387313
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
2-amino-2-methyl-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63171282
4-piperidin-1-yl-1-prop-2-ynylpiperidine
CID 51086786
1-but-3-enyl-4-piperidin-1-ylpiperidine
CID 142831237
2,2-dimethyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)hexan-1-amine
CID 106708095
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine (CID 64679336) is 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine is CC(C)(N)CCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine?
The InChIKey is HQKYMURMVQAEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-15(2,16)8-13-17-11-6-14(7-12-17)18-9-4-3-5-10-18/h14H,3-13,16H2,1-2H3.
What are the key properties of 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine?
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 64679336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).