1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine

C17H27N3 — CID 146039121

IUPAC1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine
SMILESCc1cccnc1N1CCN(C2CCC(C)(C)C2)CC1
InChIInChI=1S/C17H27N3/c1-14-5-4-8-18-16(14)20-11-9-19(10-12-20)15-6-7-17(2,3)13-15/h4-5,8,15H,6-7,9-13H2,1-3H3
InChIKeyKWLXJAKMRBCYFU-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.09
Rot. Bonds2

About 1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine

1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine (PubChem CID 146039121) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine
PubChem CID146039121
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine
SMILESCc1cccnc1N1CCN(C2CCC(C)(C)C2)CC1
InChIInChI=1S/C17H27N3/c1-14-5-4-8-18-16(14)20-11-9-19(10-12-20)15-6-7-17(2,3)13-15/h4-5,8,15H,6-7,9-13H2,1-3H3
InChIKeyKWLXJAKMRBCYFU-UHFFFAOYSA-N
XLogP3.09
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-dimethylcyclopentyl)-4-(3-methyl-4-pyridinyl)-1,4-diazepane
CID 146045944
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
ethyl 6-[4-[3-(2,6-dimethylphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850104
4-methyl-3-[2-[4-(2-methyl-2-azaspiro[3.4]octan-6-yl)piperazin-1-yl]-3-pyridinyl]-1,2-oxazole
CID 175631998
[2-[4-[(6R)-2-ethoxycarbonyl-2-azaspiro[3.4]octan-6-yl]piperazin-1-yl]-3-pyridinyl]boronic acid
CID 171850088
ethyl 6-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849927
(6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid
CID 139512542
ethyl 6-[4-(3-cyclopropyloxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849470
ethyl 6-[4-(3-ethoxycarbonyloxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850132
1-(3-methyl-2-pyridinyl)piperidine-4-carbaldehyde
CID 62663790
1-(3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 62253531
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine (CID 146039121) is 1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine is Cc1cccnc1N1CCN(C2CCC(C)(C)C2)CC1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine?
The InChIKey is KWLXJAKMRBCYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-5-4-8-18-16(14)20-11-9-19(10-12-20)15-6-7-17(2,3)13-15/h4-5,8,15H,6-7,9-13H2,1-3H3.
What are the key properties of 1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine?
1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine has a molecular weight of 273.42 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 146039121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).