N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine

C19H26N4 — CID 71988512

IUPACN-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine
SMILESCCN(Cc1ccncc1)CC1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H26N4/c1-2-22(15-17-6-11-20-12-7-17)16-18-8-13-23(14-9-18)19-5-3-4-10-21-19/h3-7,10-12,18H,2,8-9,13-16H2,1H3
InChIKeyFSWONWYDFWMPDK-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.22
Rot. Bonds6

About N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine

N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine (PubChem CID 71988512) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine
PubChem CID71988512
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine
SMILESCCN(Cc1ccncc1)CC1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H26N4/c1-2-22(15-17-6-11-20-12-7-17)16-18-8-13-23(14-9-18)19-5-3-4-10-21-19/h3-7,10-12,18H,2,8-9,13-16H2,1H3
InChIKeyFSWONWYDFWMPDK-UHFFFAOYSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine?
The IUPAC name of N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine (CID 71988512) is N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine is CCN(Cc1ccncc1)CC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine?
The InChIKey is FSWONWYDFWMPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-2-22(15-17-6-11-20-12-7-17)16-18-8-13-23(14-9-18)19-5-3-4-10-21-19/h3-7,10-12,18H,2,8-9,13-16H2,1H3.
What are the key properties of N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine?
N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine has a molecular weight of 310.44 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 71988512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).