1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine

C13H23N3 — CID 142358626

IUPAC1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
SMILESCC(C)C1=NC=C(CN2CCNCC2)CC1
InChIInChI=1S/C13H23N3/c1-11(2)13-4-3-12(9-15-13)10-16-7-5-14-6-8-16/h9,11,14H,3-8,10H2,1-2H3
InChIKeyUALWYKBKTGHIQH-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.67
Rot. Bonds3

About 1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine

1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine (PubChem CID 142358626) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
PubChem CID142358626
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
SMILESCC(C)C1=NC=C(CN2CCNCC2)CC1
InChIInChI=1S/C13H23N3/c1-11(2)13-4-3-12(9-15-13)10-16-7-5-14-6-8-16/h9,11,14H,3-8,10H2,1-2H3
InChIKeyUALWYKBKTGHIQH-UHFFFAOYSA-N
XLogP1.67
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-piperidin-4-yl-3,4-dihydropyridine
CID 91019224
4-[(4-methyl-3H-pyrrol-2-yl)methyl]piperidine
CID 138631842
4-(4-methyl-3H-pyrrol-2-yl)piperidine
CID 138631950
3-methyl-N-[(E)-2-(piperazin-1-ylmethyl)but-1-enyl]butan-2-imine
CID 142358591
1-Methyl-4-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine
CID 142358594
2-methyl-N-[(E)-2-methyl-3-piperazin-1-ylprop-1-enyl]pentan-3-imine
CID 142358601
1-[(2-Tert-butyl-3,4-dihydropyridin-5-yl)methyl]piperazine
CID 169691823

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine?
The IUPAC name of 1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine (CID 142358626) is 1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine?
The canonical SMILES for 1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine is CC(C)C1=NC=C(CN2CCNCC2)CC1.
What is the InChIKey of 1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine?
The InChIKey is UALWYKBKTGHIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)13-4-3-12(9-15-13)10-16-7-5-14-6-8-16/h9,11,14H,3-8,10H2,1-2H3.
What are the key properties of 1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine?
1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine has a molecular weight of 221.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yl-3,4-dihydropyridin-5-yl)methyl]piperazine is sourced from PubChem (CID 142358626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).