[1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

C15H21N3O2 — CID 115452712

IUPAC[1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C15H21N3O2/c16-11-15(5-6-15)14(20)18-9-7-17(8-10-18)12-1-3-13(19)4-2-12/h1-4,19H,5-11,16H2
InChIKeySPDXKVGKLPEOJG-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.78
Rot. Bonds3

About [1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

[1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 115452712) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID115452712
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(c3ccc(O)cc3)CC2)CC1
InChIInChI=1S/C15H21N3O2/c16-11-15(5-6-15)14(20)18-9-7-17(8-10-18)12-1-3-13(19)4-2-12/h1-4,19H,5-11,16H2
InChIKeySPDXKVGKLPEOJG-UHFFFAOYSA-N
XLogP0.78
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone (CID 115452712) is [1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is NCC1(C(=O)N2CCN(c3ccc(O)cc3)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is SPDXKVGKLPEOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-11-15(5-6-15)14(20)18-9-7-17(8-10-18)12-1-3-13(19)4-2-12/h1-4,19H,5-11,16H2.
What are the key properties of [1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone?
[1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 115452712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).