3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride

C16H28Cl2N4 — CID 67416459

IUPAC3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride
SMILESCl.Cl.c1cc(NCCN2CCCC2)cc(N2CCNCC2)c1
InChIInChI=1S/C16H26N4.2ClH/c1-2-10-19(9-1)11-8-18-15-4-3-5-16(14-15)20-12-6-17-7-13-20;;/h3-5,14,17-18H,1-2,6-13H2;2*1H
InChIKeyDPTNXTCUNXKZTE-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.45
Rot. Bonds5

About 3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride

3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride (PubChem CID 67416459) has the molecular formula C16H28Cl2N4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride.

Molecular Properties

Compound Name3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride
PubChem CID67416459
Molecular FormulaC16H28Cl2N4
Molecular Weight347.33 g/mol
Exact Mass346.17
IUPAC Name3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride
SMILESCl.Cl.c1cc(NCCN2CCCC2)cc(N2CCNCC2)c1
InChIInChI=1S/C16H26N4.2ClH/c1-2-10-19(9-1)11-8-18-15-4-3-5-16(14-15)20-12-6-17-7-13-20;;/h3-5,14,17-18H,1-2,6-13H2;2*1H
InChIKeyDPTNXTCUNXKZTE-UHFFFAOYSA-N
XLogP2.45
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
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N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 54807271
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
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3-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 54967768
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153
N-(3-piperazin-1-ylphenyl)benzenesulfonamide
CID 11849196
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
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CID 19911472

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride?
The IUPAC name of 3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride (CID 67416459) is 3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride.
What is the SMILES notation for 3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride?
The canonical SMILES for 3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride is Cl.Cl.c1cc(NCCN2CCCC2)cc(N2CCNCC2)c1.
What is the InChIKey of 3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride?
The InChIKey is DPTNXTCUNXKZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.2ClH/c1-2-10-19(9-1)11-8-18-15-4-3-5-16(14-15)20-12-6-17-7-13-20;;/h3-5,14,17-18H,1-2,6-13H2;2*1H.
What are the key properties of 3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride?
3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride has a molecular weight of 347.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-N-(2-pyrrolidin-1-ylethyl)aniline;dihydrochloride is sourced from PubChem (CID 67416459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).