N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine

C17H27N3 — CID 62425823

IUPACN-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3/c1-15(9-10-18-16-7-8-16)19-11-13-20(14-12-19)17-5-3-2-4-6-17/h2-6,15-16,18H,7-14H2,1H3
InChIKeyUTRREPGEJGRCFL-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.34
Rot. Bonds6

About N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine

N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine (PubChem CID 62425823) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
PubChem CID62425823
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine
SMILESCC(CCNC1CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3/c1-15(9-10-18-16-7-8-16)19-11-13-20(14-12-19)17-5-3-2-4-6-17/h2-6,15-16,18H,7-14H2,1H3
InChIKeyUTRREPGEJGRCFL-UHFFFAOYSA-N
XLogP2.34
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
N-[3-(4-benzylpiperazin-1-yl)butyl]cyclopropanamine
CID 62425638
3-(4-phenylpiperazin-1-yl)butan-1-amine
CID 60914326
N-(3,3-dimethylbutyl)-1-phenylpiperidin-4-amine
CID 103779062
2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62558178
N-[3-(3,4-dimethylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 79183577
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylbutan-1-amine
CID 62419651
N-[3-(2-methylmorpholin-4-yl)butyl]cyclopropanamine
CID 62439473
N-(3-cyclopropylpropyl)-1-phenylpiperidin-4-amine
CID 103902375
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
1-ethyl-3-(4-hydroxycyclohexyl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine
CID 111190094
N-[3-(3,5-dimethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62424497

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine (CID 62425823) is N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine is CC(CCNC1CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine?
The InChIKey is UTRREPGEJGRCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-15(9-10-18-16-7-8-16)19-11-13-20(14-12-19)17-5-3-2-4-6-17/h2-6,15-16,18H,7-14H2,1H3.
What are the key properties of N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine?
N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine has a molecular weight of 273.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperazin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 62425823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).