1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine

C16H24N2 — CID 114102162

IUPAC1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine
SMILESCCC1(CN2CCNCC2c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-2-16(8-9-16)13-18-11-10-17-12-15(18)14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3
InChIKeyKCAQQUMGKYBMOW-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.82
Rot. Bonds4

About 1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine

1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine (PubChem CID 114102162) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine.

Molecular Properties

Compound Name1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine
PubChem CID114102162
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine
SMILESCCC1(CN2CCNCC2c2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-2-16(8-9-16)13-18-11-10-17-12-15(18)14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3
InChIKeyKCAQQUMGKYBMOW-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylthiolan-2-yl)methyl]-2-phenylpiperazine
CID 80730519
trimethyl-[(2-phenylpiperazin-1-yl)methyl]silane
CID 10444724
1-(3-ethoxypropyl)-2-phenylpiperazine
CID 64938444
2-phenyl-1-propyl-1,4-diazepane
CID 82242016
1-(cyclopentylmethyl)-2-phenylpiperazine
CID 64832948
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
1-(3-fluoropropyl)-2-phenylpiperazine
CID 81114300
1-(2-phenylpiperazin-1-yl)heptan-2-ol
CID 70408469
1-(7-methyloctyl)-2-phenylpiperazine
CID 107818420
(2S)-1-[(1-methylpyrazol-3-yl)methyl]-2-phenylpiperazine
CID 124660620
1-(oxan-4-ylmethyl)-2-phenylpiperazine
CID 64834544
2-(4-bromophenyl)-1-ethylpiperazine
CID 82305436

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine?
The IUPAC name of 1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine (CID 114102162) is 1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine.
What is the SMILES notation for 1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine?
The canonical SMILES for 1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine is CCC1(CN2CCNCC2c2ccccc2)CC1.
What is the InChIKey of 1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine?
The InChIKey is KCAQQUMGKYBMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-16(8-9-16)13-18-11-10-17-12-15(18)14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3.
What are the key properties of 1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine?
1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine has a molecular weight of 244.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclopropyl)methyl]-2-phenylpiperazine is sourced from PubChem (CID 114102162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).