1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine

C16H30N4 — CID 56712928

IUPAC1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine
SMILESCc1cc(CC(C)NC2CCN(CC(C)C)CC2)n[nH]1
InChIInChI=1S/C16H30N4/c1-12(2)11-20-7-5-15(6-8-20)17-13(3)9-16-10-14(4)18-19-16/h10,12-13,15,17H,5-9,11H2,1-4H3,(H,18,19)
InChIKeyRSFYPWTZYRNZSI-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.36
Rot. Bonds6

About 1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine

1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine (PubChem CID 56712928) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine
PubChem CID56712928
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine
SMILESCc1cc(CC(C)NC2CCN(CC(C)C)CC2)n[nH]1
InChIInChI=1S/C16H30N4/c1-12(2)11-20-7-5-15(6-8-20)17-13(3)9-16-10-14(4)18-19-16/h10,12-13,15,17H,5-9,11H2,1-4H3,(H,18,19)
InChIKeyRSFYPWTZYRNZSI-UHFFFAOYSA-N
XLogP2.36
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-cyclohexyl-1H-pyrazol-5-yl)methyl]piperidine
CID 786815
1-(5-Cyclopropyl-1H-pyrazol-3-YL)-N-methylmethanamine
CID 44236867
1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
CID 5102523
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]tetrahydro-2H-thiopyran-4-amine
CID 50962580
ethyl 4-{[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]amino}piperidine-1-carboxylate
CID 50979564
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-isopropyl-1H-pyrazol-5-yl)piperidine
CID 56710882
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665
N-[3-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propyl]methanesulfonamide
CID 71926947
4-(3-methyl-1H-pyrazol-5-yl)piperidine dihydrochloride
CID 71757999
3-(3-methyl-1H-pyrazol-5-yl)piperidine hydrochloride
CID 112756464
Cambridge id 5152652
CID 786812

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine (CID 56712928) is 1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine is Cc1cc(CC(C)NC2CCN(CC(C)C)CC2)n[nH]1.
What is the InChIKey of 1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine?
The InChIKey is RSFYPWTZYRNZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)11-20-7-5-15(6-8-20)17-13(3)9-16-10-14(4)18-19-16/h10,12-13,15,17H,5-9,11H2,1-4H3,(H,18,19).
What are the key properties of 1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine?
1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine has a molecular weight of 278.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]piperidin-4-amine is sourced from PubChem (CID 56712928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).