2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine

C31H44N6 — CID 157285387

IUPAC2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine
SMILESNCCN1CCNCC1.c1ccc(C(NCCN2CCNCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29N3.C6H15N3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23,24-14-8-3-9-15-24)27-18-21-28-19-16-26-17-20-28;7-1-4-9-5-2-8-3-6-9/h1-15,26-27H,16-21H2;8H,1-7H2
InChIKeyBAECZMQLJSSSEN-UHFFFAOYSA-N
MW500.74 g/mol
LogP2.32
Rot. Bonds9

About 2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine

2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine (PubChem CID 157285387) has the molecular formula C31H44N6 and a molecular weight of 500.74 g/mol. Its IUPAC name is 2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine.

Molecular Properties

Compound Name2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine
PubChem CID157285387
Molecular FormulaC31H44N6
Molecular Weight500.74 g/mol
Exact Mass500.36
IUPAC Name2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine
SMILESNCCN1CCNCC1.c1ccc(C(NCCN2CCNCC2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H29N3.C6H15N3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23,24-14-8-3-9-15-24)27-18-21-28-19-16-26-17-20-28;7-1-4-9-5-2-8-3-6-9/h1-15,26-27H,16-21H2;8H,1-7H2
InChIKeyBAECZMQLJSSSEN-UHFFFAOYSA-N
XLogP2.32
TPSA68.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.74
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

methane;2-piperazin-1-ylethanamine
CID 160655027
2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
N-benzyl-2-piperazin-1-ylethanamine
CID 14900561
2-piperazin-1-ylethanamine;tris(2-methoxyphenyl)borane
CID 45050786
2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 23592356
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
N-benzyl-2-(1,4-diazepan-1-yl)ethanamine
CID 62833127
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-phenyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 21152799
(1S)-2-phenyl-N-(2-piperazin-1-ylethyl)cyclopropan-1-amine;dihydrochloride
CID 159048584
N-[(2-chlorophenyl)methyl]-2-piperazin-1-ylethanamine
CID 18778415
4-(2-piperazin-1-ylethylamino)benzoic acid
CID 62230184

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine?
The IUPAC name of 2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine (CID 157285387) is 2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine.
What is the SMILES notation for 2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine?
The canonical SMILES for 2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine is NCCN1CCNCC1.c1ccc(C(NCCN2CCNCC2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine?
The InChIKey is BAECZMQLJSSSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3.C6H15N3/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23,24-14-8-3-9-15-24)27-18-21-28-19-16-26-17-20-28;7-1-4-9-5-2-8-3-6-9/h1-15,26-27H,16-21H2;8H,1-7H2.
What are the key properties of 2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine?
2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine has a molecular weight of 500.74 g/mol, XLogP of 2.32, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethanamine;2-piperazin-1-yl-N-tritylethanamine is sourced from PubChem (CID 157285387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).