N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine

C16H27N3 — CID 62423101

IUPACN-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
SMILESCCNCC(CC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-3-15(14-17-4-2)18-10-12-19(13-11-18)16-8-6-5-7-9-16/h5-9,15,17H,3-4,10-14H2,1-2H3
InChIKeyLIXRJDSOBHMJGU-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.20
Rot. Bonds6

About N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine

N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine (PubChem CID 62423101) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
PubChem CID62423101
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
SMILESCCNCC(CC)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H27N3/c1-3-15(14-17-4-2)18-10-12-19(13-11-18)16-8-6-5-7-9-16/h5-9,15,17H,3-4,10-14H2,1-2H3
InChIKeyLIXRJDSOBHMJGU-UHFFFAOYSA-N
XLogP2.20
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine
CID 103225282
1-(4-phenylpiperazin-1-yl)propan-1-ol
CID 57202840
(2R)-N-benzyl-2-(4-phenylpiperazin-1-yl)butane-1,4-diamine
CID 101335310
1-pentan-3-yl-4-pyridin-4-ylpiperazine
CID 20735179
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
3-(ethylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 62831183
2-(4-phenylpiperazin-1-yl)-N-prop-2-enylpropan-1-amine
CID 62558178
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
3-[4-(3-methylphenyl)piperazin-1-yl]pentanoic acid
CID 63069110
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
CID 62425422
1-[1,3-bis(4-methylphenoxy)propan-2-yl]-4-phenylpiperazine
CID 110181956

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine (CID 62423101) is N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine is CCNCC(CC)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine?
The InChIKey is LIXRJDSOBHMJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-15(14-17-4-2)18-10-12-19(13-11-18)16-8-6-5-7-9-16/h5-9,15,17H,3-4,10-14H2,1-2H3.
What are the key properties of N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine?
N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 62423101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).