1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine

C16H22N4 — CID 60797118

IUPAC1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine
SMILESc1ccc(CCN2CCC(Nc3cn[nH]c3)CC2)cc1
InChIInChI=1S/C16H22N4/c1-2-4-14(5-3-1)6-9-20-10-7-15(8-11-20)19-16-12-17-18-13-16/h1-5,12-13,15,19H,6-11H2,(H,17,18)
InChIKeyCWQOHYKKUSITER-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.53
Rot. Bonds5

About 1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine

1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine (PubChem CID 60797118) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine
PubChem CID60797118
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine
SMILESc1ccc(CCN2CCC(Nc3cn[nH]c3)CC2)cc1
InChIInChI=1S/C16H22N4/c1-2-4-14(5-3-1)6-9-20-10-7-15(8-11-20)19-16-12-17-18-13-16/h1-5,12-13,15,19H,6-11H2,(H,17,18)
InChIKeyCWQOHYKKUSITER-UHFFFAOYSA-N
XLogP2.53
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(1H-pyrazol-4-yl)piperidin-4-amine
CID 43540095
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-4-amine
CID 18447335
N-(4-nitrophenyl)-1-(2-phenylethyl)piperidin-4-amine
CID 12741863
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
3-N,3-N-dimethyl-2-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazine-2,3-diamine
CID 135100926
3-[3-[[1-(2-phenylethyl)piperidin-4-yl]amino]phenyl]propanoic acid
CID 122044526
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
N-ethenyl-1-(2-phenylethyl)piperidin-4-amine
CID 166738231
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057
5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
CID 137342628
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine?
The IUPAC name of 1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine (CID 60797118) is 1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine is c1ccc(CCN2CCC(Nc3cn[nH]c3)CC2)cc1.
What is the InChIKey of 1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine?
The InChIKey is CWQOHYKKUSITER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-4-14(5-3-1)6-9-20-10-7-15(8-11-20)19-16-12-17-18-13-16/h1-5,12-13,15,19H,6-11H2,(H,17,18).
What are the key properties of 1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine?
1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-(1H-pyrazol-4-yl)piperidin-4-amine is sourced from PubChem (CID 60797118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).