1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine

C17H25N3 — CID 79970782

IUPAC1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine
SMILESc1cc(CN2CC(N3CCNCC3)C2)cc(C2CC2)c1
InChIInChI=1S/C17H25N3/c1-2-14(10-16(3-1)15-4-5-15)11-19-12-17(13-19)20-8-6-18-7-9-20/h1-3,10,15,17-18H,4-9,11-13H2
InChIKeyHBBWPTGDYMMNDU-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.65
Rot. Bonds4

About 1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine

1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine (PubChem CID 79970782) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine
PubChem CID79970782
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine
SMILESc1cc(CN2CC(N3CCNCC3)C2)cc(C2CC2)c1
InChIInChI=1S/C17H25N3/c1-2-14(10-16(3-1)15-4-5-15)11-19-12-17(13-19)20-8-6-18-7-9-20/h1-3,10,15,17-18H,4-9,11-13H2
InChIKeyHBBWPTGDYMMNDU-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 156693653
1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 79983915
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
1-[1-[(3,4,5-trifluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66202797
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
CID 117462174
1-[2-(3-cycloheptylphenyl)ethyl]piperazine
CID 117462171
2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid
CID 79978496
1-(4-phenylcyclohexyl)piperazine chloride
CID 53347254
1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
CID 66203365
1-[1-[(2,4,6-trimethylphenyl)methyl]azetidin-3-yl]piperazine
CID 66201053
3-[[4-(1,4-diazepan-1-yl)piperidin-1-yl]methyl]benzonitrile
CID 24736594
1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 104822700

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine (CID 79970782) is 1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine is c1cc(CN2CC(N3CCNCC3)C2)cc(C2CC2)c1.
What is the InChIKey of 1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine?
The InChIKey is HBBWPTGDYMMNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-14(10-16(3-1)15-4-5-15)11-19-12-17(13-19)20-8-6-18-7-9-20/h1-3,10,15,17-18H,4-9,11-13H2.
What are the key properties of 1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine?
1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine has a molecular weight of 271.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 79970782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).