N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine

C18H32N4 — CID 5234874

IUPACN-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine
SMILESC1=CCNC(CN(CC2CCCCN2)CC2CCCCN2)=C1
InChIInChI=1S/C18H32N4/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18/h1,4,7,17-21H,2-3,5-6,8-15H2
InChIKeyDQYIUOLMFZYTCQ-UHFFFAOYSA-N
MW304.48 g/mol
LogP1.62
Rot. Bonds6

About N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine

N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine (PubChem CID 5234874) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine
PubChem CID5234874
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC NameN-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine
SMILESC1=CCNC(CN(CC2CCCCN2)CC2CCCCN2)=C1
InChIInChI=1S/C18H32N4/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18/h1,4,7,17-21H,2-3,5-6,8-15H2
InChIKeyDQYIUOLMFZYTCQ-UHFFFAOYSA-N
XLogP1.62
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine?
The IUPAC name of N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine (CID 5234874) is N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine.
What is the SMILES notation for N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine?
The canonical SMILES for N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine is C1=CCNC(CN(CC2CCCCN2)CC2CCCCN2)=C1.
What is the InChIKey of N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine?
The InChIKey is DQYIUOLMFZYTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18/h1,4,7,17-21H,2-3,5-6,8-15H2.
What are the key properties of N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine?
N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine has a molecular weight of 304.48 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine is sourced from PubChem (CID 5234874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).