1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine

C18H32N4 — CID 173051994

IUPAC1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=CNCC(CN3CCCCC3)=C2)CC1
InChIInChI=1S/C18H32N4/c1-16(2)21-8-10-22(11-9-21)18-12-17(13-19-14-18)15-20-6-4-3-5-7-20/h12,14,16,19H,3-11,13,15H2,1-2H3
InChIKeyIRWSSFMCZZYGMZ-UHFFFAOYSA-N
MW304.48 g/mol
LogP1.87
Rot. Bonds4

About 1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine

1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine (PubChem CID 173051994) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine
PubChem CID173051994
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2=CNCC(CN3CCCCC3)=C2)CC1
InChIInChI=1S/C18H32N4/c1-16(2)21-8-10-22(11-9-21)18-12-17(13-19-14-18)15-20-6-4-3-5-7-20/h12,14,16,19H,3-11,13,15H2,1-2H3
InChIKeyIRWSSFMCZZYGMZ-UHFFFAOYSA-N
XLogP1.87
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3Z)-2-N-ethyl-3-N,3-N-dimethyl-5-N-(1-methylpiperidin-4-yl)hexa-1,3,5-triene-2,3,5-triamine
CID 169648112
1-N,1,4-trimethyl-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]cyclohexa-3,5-diene-1,2-diamine
CID 174185750
(2E)-N,N-dimethyl-4-[3-methylidene-4-(1-methylpiperidin-4-yl)piperazin-1-yl]penta-2,4-dien-1-amine
CID 176557391
N-(1,2-dihydropyridin-6-ylmethyl)-1-piperidin-2-yl-N-(piperidin-2-ylmethyl)methanamine
CID 5234874
1-(1,2-Dihydropyridin-6-ylmethyl)-4-(piperidin-2-ylmethyl)piperazine
CID 5256884
1-(3-methylbut-2-enyl)-N-(1-piperidin-1-ylpropan-2-yl)piperidin-4-amine
CID 43791772
1-(3-methylbut-2-enyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 60924819
1-(3-methylbut-2-enyl)-N-(2-piperidin-1-ylpropyl)piperidin-4-amine
CID 61018863
1-ethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidin-3-amine
CID 61171945
1-(3-methylbut-2-enyl)-N-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 61521981
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 63898746
(1Z,3Z)-5-[4-[1-[(2E,4Z)-2,5-dimethylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-2,4-dimethylpenta-1,3-dien-1-amine
CID 143280032

Frequently Asked Questions

What is the IUPAC name of 1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine (CID 173051994) is 1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C2=CNCC(CN3CCCCC3)=C2)CC1.
What is the InChIKey of 1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine?
The InChIKey is IRWSSFMCZZYGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-16(2)21-8-10-22(11-9-21)18-12-17(13-19-14-18)15-20-6-4-3-5-7-20/h12,14,16,19H,3-11,13,15H2,1-2H3.
What are the key properties of 1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine?
1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine has a molecular weight of 304.48 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 173051994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).