1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine

C15H27N3 — CID 153390633

IUPAC1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
SMILESCc1cnn(CC2CCN(CCC(C)C)CC2)c1
InChIInChI=1S/C15H27N3/c1-13(2)4-7-17-8-5-15(6-9-17)12-18-11-14(3)10-16-18/h10-11,13,15H,4-9,12H2,1-3H3
InChIKeyBWYMMEYTGITVDC-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine

1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine (PubChem CID 153390633) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
PubChem CID153390633
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
SMILESCc1cnn(CC2CCN(CCC(C)C)CC2)c1
InChIInChI=1S/C15H27N3/c1-13(2)4-7-17-8-5-15(6-9-17)12-18-11-14(3)10-16-18/h10-11,13,15H,4-9,12H2,1-3H3
InChIKeyBWYMMEYTGITVDC-UHFFFAOYSA-N
XLogP2.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
1-(cyclohexylmethyl)-4-methylpyrazole;3-methylbutan-1-ol
CID 155739466
4-[(4-methylpyrazol-1-yl)methyl]-1-[(2,3,6-trifluorophenyl)methyl]piperidine
CID 166314468
(1R)-1-(2-chlorophenyl)-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanol
CID 95978859
[3-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752876
1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-ol
CID 117124738
1-[2-(3-chloropyrrolidin-1-yl)ethyl]-4-methylpyrazole
CID 130516358
4-bromo-1-[[1-(cyclopropylmethyl)pyrrolidin-3-yl]methyl]pyrazole
CID 165429536
4-methyl-2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 72870635
2-methyl-8-[4-[[4-[(4-propan-2-ylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]piperidin-1-yl]octan-4-one
CID 155740126
4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
CID 126947449
7-[[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120848325

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine?
The IUPAC name of 1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine (CID 153390633) is 1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine.
What is the SMILES notation for 1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine?
The canonical SMILES for 1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine is Cc1cnn(CC2CCN(CCC(C)C)CC2)c1.
What is the InChIKey of 1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine?
The InChIKey is BWYMMEYTGITVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)4-7-17-8-5-15(6-9-17)12-18-11-14(3)10-16-18/h10-11,13,15H,4-9,12H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine?
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine has a molecular weight of 249.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine is sourced from PubChem (CID 153390633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).