1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine

C22H29N3 — CID 142637683

IUPAC1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine
SMILESc1ccc([C@@H]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1
InChIInChI=1S/C22H29N3/c1-2-8-20(9-3-1)21-10-6-7-19(17-21)18-24-13-15-25(16-14-24)22-11-4-5-12-23-22/h1-5,8-9,11-12,19,21H,6-7,10,13-18H2/t19-,21-/m1/s1
InChIKeyINALOXAUZSKWLF-TZIWHRDSSA-N
MW335.49 g/mol
LogP4.18
Rot. Bonds4

About 1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine

1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine (PubChem CID 142637683) has the molecular formula C22H29N3 and a molecular weight of 335.49 g/mol. Its IUPAC name is 1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine
PubChem CID142637683
Molecular FormulaC22H29N3
Molecular Weight335.49 g/mol
Exact Mass335.24
IUPAC Name1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine
SMILESc1ccc([C@@H]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1
InChIInChI=1S/C22H29N3/c1-2-8-20(9-3-1)21-10-6-7-19(17-21)18-24-13-15-25(16-14-24)22-11-4-5-12-23-22/h1-5,8-9,11-12,19,21H,6-7,10,13-18H2/t19-,21-/m1/s1
InChIKeyINALOXAUZSKWLF-TZIWHRDSSA-N
XLogP4.18
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133300278
ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
CID 171069945
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614
5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
CID 110923901
3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 146134518
2-chloro-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133279639
methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
CID 124721465
N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
CID 62573579

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine (CID 142637683) is 1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine is c1ccc([C@@H]2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1.
What is the InChIKey of 1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is INALOXAUZSKWLF-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H29N3/c1-2-8-20(9-3-1)21-10-6-7-19(17-21)18-24-13-15-25(16-14-24)22-11-4-5-12-23-22/h1-5,8-9,11-12,19,21H,6-7,10,13-18H2/t19-,21-/m1/s1.
What are the key properties of 1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine?
1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 335.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 142637683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).