4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine

C16H24ClN3O — CID 115295298

IUPAC4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
SMILESNC1(CN2CCN(c3cccc(Cl)c3)CC2)CCOCC1
InChIInChI=1S/C16H24ClN3O/c17-14-2-1-3-15(12-14)20-8-6-19(7-9-20)13-16(18)4-10-21-11-5-16/h1-3,12H,4-11,13,18H2
InChIKeyFIAQYHNULLJUHQ-UHFFFAOYSA-N
MW309.84 g/mol
LogP1.97
Rot. Bonds3

About 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine

4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine (PubChem CID 115295298) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine.

Molecular Properties

Compound Name4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
PubChem CID115295298
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
SMILESNC1(CN2CCN(c3cccc(Cl)c3)CC2)CCOCC1
InChIInChI=1S/C16H24ClN3O/c17-14-2-1-3-15(12-14)20-8-6-19(7-9-20)13-16(18)4-10-21-11-5-16/h1-3,12H,4-11,13,18H2
InChIKeyFIAQYHNULLJUHQ-UHFFFAOYSA-N
XLogP1.97
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxolan-3-yl]methanol
CID 62270372
1-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclopropan-1-amine
CID 65457035
[4-(aminomethyl)oxan-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120937747
2-(3-chlorophenyl)-8-oxa-2-azaspiro[4.5]decane
CID 141382872
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103058539
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl-methanidylazanium
CID 20756629
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 109003218
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-morpholin-4-ylpentane-1,4-dione
CID 121448939
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine?
The IUPAC name of 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine (CID 115295298) is 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine.
What is the SMILES notation for 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine?
The canonical SMILES for 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine is NC1(CN2CCN(c3cccc(Cl)c3)CC2)CCOCC1.
What is the InChIKey of 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine?
The InChIKey is FIAQYHNULLJUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c17-14-2-1-3-15(12-14)20-8-6-19(7-9-20)13-16(18)4-10-21-11-5-16/h1-3,12H,4-11,13,18H2.
What are the key properties of 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine?
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine has a molecular weight of 309.84 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine is sourced from PubChem (CID 115295298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).