N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine

C18H27N5 — CID 50972662

IUPACN-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESCc1nc(C(C)NC2CCN(CCc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C18H27N5/c1-14(18-20-15(2)21-22-18)19-17-9-12-23(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,14,17,19H,8-13H2,1-2H3,(H,20,21,22)
InChIKeyULSHNNCFFJWBFM-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.47
Rot. Bonds6

About N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine

N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 50972662) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
PubChem CID50972662
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
SMILESCc1nc(C(C)NC2CCN(CCc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C18H27N5/c1-14(18-20-15(2)21-22-18)19-17-9-12-23(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,14,17,19H,8-13H2,1-2H3,(H,20,21,22)
InChIKeyULSHNNCFFJWBFM-UHFFFAOYSA-N
XLogP2.47
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine
CID 103952918
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 124619726
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine (CID 50972662) is N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine is Cc1nc(C(C)NC2CCN(CCc3ccccc3)CC2)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is ULSHNNCFFJWBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-14(18-20-15(2)21-22-18)19-17-9-12-23(13-10-17)11-8-16-6-4-3-5-7-16/h3-7,14,17,19H,8-13H2,1-2H3,(H,20,21,22).
What are the key properties of N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine?
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 313.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 50972662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).