N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine

C15H31N3 — CID 79538653

IUPACN-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCC1CCCN(C)C1
InChIInChI=1S/C15H31N3/c1-13(10-15-7-3-4-8-16-15)17-11-14-6-5-9-18(2)12-14/h13-17H,3-12H2,1-2H3
InChIKeyMBEXCJMJNLWPSJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.84
Rot. Bonds5

About N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine

N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine (PubChem CID 79538653) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine
PubChem CID79538653
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine
SMILESCC(CC1CCCCN1)NCC1CCCN(C)C1
InChIInChI=1S/C15H31N3/c1-13(10-15-7-3-4-8-16-15)17-11-14-6-5-9-18(2)12-14/h13-17H,3-12H2,1-2H3
InChIKeyMBEXCJMJNLWPSJ-UHFFFAOYSA-N
XLogP1.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 114146569
N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine
CID 79560963
1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
CID 79560062
1-(azepan-2-yl)-N-(cyclohex-3-en-1-ylmethyl)propan-2-amine
CID 79560562
1-piperidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 79549233
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
1-N,1-N-dimethyl-3-N-[(1-methylpiperidin-3-yl)methyl]butane-1,3-diamine
CID 62658319
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
2-(1-piperidin-2-ylpropan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 113405923
N-(oxolan-2-ylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79548794
(2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine
CID 97231847

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine (CID 79538653) is N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine is CC(CC1CCCCN1)NCC1CCCN(C)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine?
The InChIKey is MBEXCJMJNLWPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(10-15-7-3-4-8-16-15)17-11-14-6-5-9-18(2)12-14/h13-17H,3-12H2,1-2H3.
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine?
N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-1-piperidin-2-ylpropan-2-amine is sourced from PubChem (CID 79538653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).