(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine

C19H25N3O — CID 124944321

IUPAC(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine
SMILESCC(C)Oc1ccc([C@@H]2CNCCN2Cc2cccnc2)cc1
InChIInChI=1S/C19H25N3O/c1-15(2)23-18-7-5-17(6-8-18)19-13-21-10-11-22(19)14-16-4-3-9-20-12-16/h3-9,12,15,19,21H,10-11,13-14H2,1-2H3/t19-/m0/s1
InChIKeyBIUCJHBDUOOYPC-IBGZPJMESA-N
MW311.43 g/mol
LogP3.02
Rot. Bonds5

About (2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine

(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 124944321) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine
PubChem CID124944321
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine
SMILESCC(C)Oc1ccc([C@@H]2CNCCN2Cc2cccnc2)cc1
InChIInChI=1S/C19H25N3O/c1-15(2)23-18-7-5-17(6-8-18)19-13-21-10-11-22(19)14-16-4-3-9-20-12-16/h3-9,12,15,19,21H,10-11,13-14H2,1-2H3/t19-/m0/s1
InChIKeyBIUCJHBDUOOYPC-IBGZPJMESA-N
XLogP3.02
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-yloxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 175656523
1-[(3-fluorophenyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659920
1-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175659582
1-[(2-methyl-3-pyridinyl)methyl]-2-(4-propan-2-yloxyphenyl)piperazine
CID 175660271
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
2-(3-chlorophenyl)-1-(pyridin-3-ylmethyl)piperazine
CID 120780257
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
2-[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]pyrazine
CID 68594980
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
4-methyl-2-[[2-(4-propan-2-yloxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 175660267
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of (2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine (CID 124944321) is (2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for (2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for (2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine is CC(C)Oc1ccc([C@@H]2CNCCN2Cc2cccnc2)cc1.
What is the InChIKey of (2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is BIUCJHBDUOOYPC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25N3O/c1-15(2)23-18-7-5-17(6-8-18)19-13-21-10-11-22(19)14-16-4-3-9-20-12-16/h3-9,12,15,19,21H,10-11,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine?
(2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 311.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-propan-2-yloxyphenyl)-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 124944321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).