N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine

C17H28N4 — CID 86803703

IUPACN-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CNc2ccccn2)(N2CCCCC2)CC1
InChIInChI=1S/C17H28N4/c1-20-13-8-17(9-14-20,21-11-5-2-6-12-21)15-19-16-7-3-4-10-18-16/h3-4,7,10H,2,5-6,8-9,11-15H2,1H3,(H,18,19)
InChIKeyYGAXZGJXHSLITR-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.44
Rot. Bonds4

About N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine

N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine (PubChem CID 86803703) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine
PubChem CID86803703
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine
SMILESCN1CCC(CNc2ccccn2)(N2CCCCC2)CC1
InChIInChI=1S/C17H28N4/c1-20-13-8-17(9-14-20,21-11-5-2-6-12-21)15-19-16-7-3-4-10-18-16/h3-4,7,10H,2,5-6,8-9,11-15H2,1H3,(H,18,19)
InChIKeyYGAXZGJXHSLITR-UHFFFAOYSA-N
XLogP2.44
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine (CID 86803703) is N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine is CN1CCC(CNc2ccccn2)(N2CCCCC2)CC1.
What is the InChIKey of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine?
The InChIKey is YGAXZGJXHSLITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-20-13-8-17(9-14-20,21-11-5-2-6-12-21)15-19-16-7-3-4-10-18-16/h3-4,7,10H,2,5-6,8-9,11-15H2,1H3,(H,18,19).
What are the key properties of N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine?
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 86803703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).