1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine

C18H28N2 — CID 163258700

IUPAC1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine
SMILESCCCc1ccc(CN2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-3-16-4-6-17(7-5-16)14-19-10-12-20(13-11-19)15-18-8-9-18/h4-7,18H,2-3,8-15H2,1H3
InChIKeyLSCJBORWHKJZJS-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.17
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine

1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine (PubChem CID 163258700) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine
PubChem CID163258700
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine
SMILESCCCc1ccc(CN2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-3-16-4-6-17(7-5-16)14-19-10-12-20(13-11-19)15-18-8-9-18/h4-7,18H,2-3,8-15H2,1H3
InChIKeyLSCJBORWHKJZJS-UHFFFAOYSA-N
XLogP3.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
1-(cyclohex-3-en-1-ylmethyl)-4-[(4-ethylphenyl)methyl]piperazine
CID 2901953
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyaniline
CID 61440178
3-(ethylsulfanylmethyl)-1-[(4-propylphenyl)methyl]pyrrolidine;propane
CID 153395711
1-[(4-propylphenyl)methyl]-1,4-diazepane
CID 82128938
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 61440176
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
[4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-methoxyphenyl]methanamine
CID 106785322
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2-fluorobenzoic acid
CID 106699160
1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 77082244
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine (CID 163258700) is 1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine is CCCc1ccc(CN2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine?
The InChIKey is LSCJBORWHKJZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-3-16-4-6-17(7-5-16)14-19-10-12-20(13-11-19)15-18-8-9-18/h4-7,18H,2-3,8-15H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine?
1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine is sourced from PubChem (CID 163258700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).