1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine

C15H27N3 — CID 66444599

IUPAC1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
SMILESCCCn1cccc1CNCC1CCN(C)CC1
InChIInChI=1S/C15H27N3/c1-3-8-18-9-4-5-15(18)13-16-12-14-6-10-17(2)11-7-14/h4-5,9,14,16H,3,6-8,10-13H2,1-2H3
InChIKeyVHXIWLDNEKOWHK-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.33
Rot. Bonds6

About 1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine

1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine (PubChem CID 66444599) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
PubChem CID66444599
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
SMILESCCCn1cccc1CNCC1CCN(C)CC1
InChIInChI=1S/C15H27N3/c1-3-8-18-9-4-5-15(18)13-16-12-14-6-10-17(2)11-7-14/h4-5,9,14,16H,3,6-8,10-13H2,1-2H3
InChIKeyVHXIWLDNEKOWHK-UHFFFAOYSA-N
XLogP2.33
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine (CID 66444599) is 1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine is CCCn1cccc1CNCC1CCN(C)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine?
The InChIKey is VHXIWLDNEKOWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-8-18-9-4-5-15(18)13-16-12-14-6-10-17(2)11-7-14/h4-5,9,14,16H,3,6-8,10-13H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine?
1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 66444599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).