1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine

C16H28N4 — CID 83955031

IUPAC1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine
SMILESCC(N)CNc1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H28N4/c1-13(2)19-8-10-20(11-9-19)16-6-4-15(5-7-16)18-12-14(3)17/h4-7,13-14,18H,8-12,17H2,1-3H3
InChIKeySNSHABFGMPEEKF-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.98
Rot. Bonds5

About 1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine

1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine (PubChem CID 83955031) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine
PubChem CID83955031
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine
SMILESCC(N)CNc1ccc(N2CCN(C(C)C)CC2)cc1
InChIInChI=1S/C16H28N4/c1-13(2)19-8-10-20(11-9-19)16-6-4-15(5-7-16)18-12-14(3)17/h4-7,13-14,18H,8-12,17H2,1-3H3
InChIKeySNSHABFGMPEEKF-UHFFFAOYSA-N
XLogP1.98
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine
CID 83955073
4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol
CID 112721082
N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721147
N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721153
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43732150
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine
CID 117403011
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
1-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-amine
CID 117436732
1-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propane-1,2-diamine
CID 83961012

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine?
The IUPAC name of 1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine (CID 83955031) is 1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine is CC(N)CNc1ccc(N2CCN(C(C)C)CC2)cc1.
What is the InChIKey of 1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine?
The InChIKey is SNSHABFGMPEEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)19-8-10-20(11-9-19)16-6-4-15(5-7-16)18-12-14(3)17/h4-7,13-14,18H,8-12,17H2,1-3H3.
What are the key properties of 1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine?
1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 83955031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).