[5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine

C16H20ClN3O — CID 62417134

IUPAC[5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
SMILESNCc1ccc(CN2CCN(c3ccccc3Cl)CC2)o1
InChIInChI=1S/C16H20ClN3O/c17-15-3-1-2-4-16(15)20-9-7-19(8-10-20)12-14-6-5-13(11-18)21-14/h1-6H,7-12,18H2
InChIKeyOLQSROXROSPGAP-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.71
Rot. Bonds4

About [5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine

[5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine (PubChem CID 62417134) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is [5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
PubChem CID62417134
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name[5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
SMILESNCc1ccc(CN2CCN(c3ccccc3Cl)CC2)o1
InChIInChI=1S/C16H20ClN3O/c17-15-3-1-2-4-16(15)20-9-7-19(8-10-20)12-14-6-5-13(11-18)21-14/h1-6H,7-12,18H2
InChIKeyOLQSROXROSPGAP-UHFFFAOYSA-N
XLogP2.71
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62419652
[[5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methylideneamino]thiourea
CID 76572534
[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62417334
(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
CID 66046563
1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-(2-fluorophenyl)piperazine
CID 1375727
[5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62423654
1-[[5-(aminomethyl)furan-2-yl]methyl]piperidin-4-ol
CID 82508099
2-[4-(2-chlorophenyl)piperazin-1-yl]ethanethioamide
CID 43118126
7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 15431691
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
2-[4-(furan-2-ylmethyl)piperazin-1-yl]aniline
CID 19626878

Frequently Asked Questions

What is the IUPAC name of [5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine (CID 62417134) is [5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine is NCc1ccc(CN2CCN(c3ccccc3Cl)CC2)o1.
What is the InChIKey of [5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
The InChIKey is OLQSROXROSPGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-15-3-1-2-4-16(15)20-9-7-19(8-10-20)12-14-6-5-13(11-18)21-14/h1-6H,7-12,18H2.
What are the key properties of [5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine?
[5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine has a molecular weight of 305.81 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62417134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).