2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine

C18H24N4 — CID 174413644

IUPAC2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
SMILESNCCN1CCN([C@H](c2ccccc2)c2ccncc2)CC1
InChIInChI=1S/C18H24N4/c19-8-11-21-12-14-22(15-13-21)18(16-4-2-1-3-5-16)17-6-9-20-10-7-17/h1-7,9-10,18H,8,11-15,19H2/t18-/m1/s1
InChIKeyATGKPUQPWHFWGE-GOSISDBHSA-N
MW296.42 g/mol
LogP1.75
Rot. Bonds5

About 2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine

2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine (PubChem CID 174413644) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
PubChem CID174413644
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine
SMILESNCCN1CCN([C@H](c2ccccc2)c2ccncc2)CC1
InChIInChI=1S/C18H24N4/c19-8-11-21-12-14-22(15-13-21)18(16-4-2-1-3-5-16)17-6-9-20-10-7-17/h1-7,9-10,18H,8,11-15,19H2/t18-/m1/s1
InChIKeyATGKPUQPWHFWGE-GOSISDBHSA-N
XLogP1.75
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[phenyl(pyridin-2-yl)methyl]piperazin-1-yl]ethanamine
CID 19370276
3-(4-benzhydryl-1,4-diazepan-1-yl)propan-1-amine
CID 13488377
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-benzhydryl-4-butylpiperazine
CID 13416419
1-benzhydryl-4-(3-chloropropyl)piperazine
CID 10936372
N-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 127026232
1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanethiol
CID 123286407
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine (CID 174413644) is 2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine is NCCN1CCN([C@H](c2ccccc2)c2ccncc2)CC1.
What is the InChIKey of 2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine?
The InChIKey is ATGKPUQPWHFWGE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N4/c19-8-11-21-12-14-22(15-13-21)18(16-4-2-1-3-5-16)17-6-9-20-10-7-17/h1-7,9-10,18H,8,11-15,19H2/t18-/m1/s1.
What are the key properties of 2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine?
2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine has a molecular weight of 296.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(R)-phenyl(pyridin-4-yl)methyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 174413644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).