2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine

C18H29N3 — CID 61441577

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C18H29N3/c1-2-17(18(19)16-6-4-3-5-7-16)21-12-10-20(11-13-21)14-15-8-9-15/h3-7,15,17-18H,2,8-14,19H2,1H3
InChIKeyUZSQYQRATZCPJF-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.49
Rot. Bonds6

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine

2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine (PubChem CID 61441577) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine
PubChem CID61441577
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine
SMILESCCC(C(N)c1ccccc1)N1CCN(CC2CC2)CC1
InChIInChI=1S/C18H29N3/c1-2-17(18(19)16-6-4-3-5-7-16)21-12-10-20(11-13-21)14-15-8-9-15/h3-7,15,17-18H,2,8-14,19H2,1H3
InChIKeyUZSQYQRATZCPJF-UHFFFAOYSA-N
XLogP2.49
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(4-propan-2-ylpiperazin-1-yl)butan-1-amine
CID 43585198
3-amino-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119854205
2-(2-methylpyrrolidin-1-yl)-1-phenylbutan-1-amine
CID 54882608
3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-phenylpropanenitrile
CID 62779738
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(3-methylphenyl)ethanamine
CID 61440628
2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(2-ethylphenyl)ethanamine
CID 62416646
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119859689
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 56540097
1-[[1-(2-phenylbutyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 56662037
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine
CID 62411228
1-phenyl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495028
[2-(4-benzhydrylpiperazine-1-carbonyl)cyclopropyl]-[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]methanone
CID 24891377

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine (CID 61441577) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine is CCC(C(N)c1ccccc1)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine?
The InChIKey is UZSQYQRATZCPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-17(18(19)16-6-4-3-5-7-16)21-12-10-20(11-13-21)14-15-8-9-15/h3-7,15,17-18H,2,8-14,19H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-phenylbutan-1-amine is sourced from PubChem (CID 61441577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).