N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline

C16H23N5 — CID 79538123

IUPACN-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline
SMILESCC(CC1CCCCN1)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H23N5/c1-13(10-15-4-2-3-9-18-15)20-14-5-7-16(8-6-14)21-12-17-11-19-21/h5-8,11-13,15,18,20H,2-4,9-10H2,1H3
InChIKeyUPBOCUTUSJYPFO-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.60
Rot. Bonds5

About N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline

N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline (PubChem CID 79538123) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline
PubChem CID79538123
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC NameN-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline
SMILESCC(CC1CCCCN1)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H23N5/c1-13(10-15-4-2-3-9-18-15)20-14-5-7-16(8-6-14)21-12-17-11-19-21/h5-8,11-13,15,18,20H,2-4,9-10H2,1H3
InChIKeyUPBOCUTUSJYPFO-UHFFFAOYSA-N
XLogP2.60
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
N-butan-2-yl-4-(1,2,4-triazol-1-yl)aniline
CID 60928165
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 119866390
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
CID 79537841
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
CID 79537495
N-pentan-3-yl-4-(1,2,4-triazol-1-yl)aniline
CID 54862710

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline (CID 79538123) is N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline is CC(CC1CCCCN1)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline?
The InChIKey is UPBOCUTUSJYPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(10-15-4-2-3-9-18-15)20-14-5-7-16(8-6-14)21-12-17-11-19-21/h5-8,11-13,15,18,20H,2-4,9-10H2,1H3.
What are the key properties of N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline?
N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline has a molecular weight of 285.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 79538123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).