3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine

C15H31N3 — CID 113416111

IUPAC3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
SMILESCC(N)C(C)CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H31N3/c1-13(14(2)16)11-18-9-5-15(6-10-18)12-17-7-3-4-8-17/h13-15H,3-12,16H2,1-2H3
InChIKeyPHXXWGKHXSOKLJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.78
Rot. Bonds5

About 3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine

3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine (PubChem CID 113416111) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
PubChem CID113416111
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
SMILESCC(N)C(C)CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H31N3/c1-13(14(2)16)11-18-9-5-15(6-10-18)12-17-7-3-4-8-17/h13-15H,3-12,16H2,1-2H3
InChIKeyPHXXWGKHXSOKLJ-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 55141477
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-amine
CID 83835140
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180
N-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 62997408
1-cyclopentyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanol
CID 104752834
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pentan-1-amine
CID 62996489
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
2-amino-3-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119851877
2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol
CID 64791676

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
The IUPAC name of 3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine (CID 113416111) is 3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine.
What is the SMILES notation for 3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
The canonical SMILES for 3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine is CC(N)C(C)CN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
The InChIKey is PHXXWGKHXSOKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(14(2)16)11-18-9-5-15(6-10-18)12-17-7-3-4-8-17/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine?
3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine is sourced from PubChem (CID 113416111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).