N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine

C16H26ClN3O — CID 62574171

IUPACN-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H26ClN3O/c1-14(13-21-2)18-7-8-19-9-11-20(12-10-19)16-6-4-3-5-15(16)17/h3-6,14,18H,7-13H2,1-2H3
InChIKeyCAHNXLUHRFBAGI-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.09
Rot. Bonds7

About N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine (PubChem CID 62574171) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
PubChem CID62574171
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H26ClN3O/c1-14(13-21-2)18-7-8-19-9-11-20(12-10-19)16-6-4-3-5-15(16)17/h3-6,14,18H,7-13H2,1-2H3
InChIKeyCAHNXLUHRFBAGI-UHFFFAOYSA-N
XLogP2.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]butan-2-amine
CID 60854667
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine
CID 62573942
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-methoxypropan-2-amine
CID 55085162
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-ethoxyethyl)ethanamine
CID 62574531
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
N-(1-methoxypropan-2-yl)-2-piperidin-1-ylaniline
CID 62534686
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
N-[2-(4-ethylpiperidin-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62558793
2-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-phenylethanamine
CID 103464013
4-(2-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 8626829
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-1-methoxypropan-2-amine
CID 55089666

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine (CID 62574171) is N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine is COCC(C)NCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine?
The InChIKey is CAHNXLUHRFBAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-14(13-21-2)18-7-8-19-9-11-20(12-10-19)16-6-4-3-5-15(16)17/h3-6,14,18H,7-13H2,1-2H3.
What are the key properties of N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine?
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine has a molecular weight of 311.86 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 62574171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).