1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine

C15H29N3 — CID 126542421

IUPAC1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
SMILESC1CCC(N2CCN(C[C@@H]3CCCN3)CC2)CC1
InChIInChI=1S/C15H29N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h14-16H,1-13H2/t14-/m0/s1
InChIKeyJOOANJOKTGRWBN-AWEZNQCLSA-N
MW251.42 g/mol
LogP1.69
Rot. Bonds3

About 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine

1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine (PubChem CID 126542421) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
PubChem CID126542421
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
SMILESC1CCC(N2CCN(C[C@@H]3CCCN3)CC2)CC1
InChIInChI=1S/C15H29N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h14-16H,1-13H2/t14-/m0/s1
InChIKeyJOOANJOKTGRWBN-AWEZNQCLSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-cyclopentylpiperazin-1-yl)methyl]thiomorpholine
CID 82918140
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
2-(2-pyrrolidin-2-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935982
ethane;propane;1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 143192100
2-[4-[[(2S)-piperidin-2-yl]methyl]piperazin-1-yl]ethanol
CID 97109268
1-(pyrrolidin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 55142508
1-methylsulfonyl-4-(piperidin-2-ylmethyl)piperazine
CID 62992754
4-[[(2R)-piperidin-2-yl]methyl]thiomorpholine
CID 28787643
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine (CID 126542421) is 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine is C1CCC(N2CCN(C[C@@H]3CCCN3)CC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine?
The InChIKey is JOOANJOKTGRWBN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h14-16H,1-13H2/t14-/m0/s1.
What are the key properties of 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine?
1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine has a molecular weight of 251.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine is sourced from PubChem (CID 126542421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).