1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine

C19H34N4 — CID 171576643

IUPAC1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine
SMILESCc1ccn(C2CCN(CC3CCN(C(C)(C)C)CC3)CC2)n1
InChIInChI=1S/C19H34N4/c1-16-5-14-23(20-16)18-8-10-21(11-9-18)15-17-6-12-22(13-7-17)19(2,3)4/h5,14,17-18H,6-13,15H2,1-4H3
InChIKeyLDFHJVWDUXEGPP-UHFFFAOYSA-N
MW318.51 g/mol
LogP3.34
Rot. Bonds3

About 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine

1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine (PubChem CID 171576643) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine
PubChem CID171576643
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC Name1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine
SMILESCc1ccn(C2CCN(CC3CCN(C(C)(C)C)CC3)CC2)n1
InChIInChI=1S/C19H34N4/c1-16-5-14-23(20-16)18-8-10-21(11-9-18)15-17-6-12-22(13-7-17)19(2,3)4/h5,14,17-18H,6-13,15H2,1-4H3
InChIKeyLDFHJVWDUXEGPP-UHFFFAOYSA-N
XLogP3.34
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
5-[1,1-difluoro-2-[4-(3-methylpyrazol-1-yl)piperidin-1-yl]ethyl]-2-(trifluoromethyl)pyridine
CID 118559761
1-tert-butyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 171429424
1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139
1-tert-butyl-4-[[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]methyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine
CID 176841742
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107110097
9-[(1-tert-butylpiperidin-4-yl)methyl]-3-(4-methylphenyl)-3,9-diazaspiro[5.5]undecane
CID 171429413
1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171429399
2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine
CID 171429388
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
CID 107109591
1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727141

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine?
The IUPAC name of 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine (CID 171576643) is 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine.
What is the SMILES notation for 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine?
The canonical SMILES for 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine is Cc1ccn(C2CCN(CC3CCN(C(C)(C)C)CC3)CC2)n1.
What is the InChIKey of 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine?
The InChIKey is LDFHJVWDUXEGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4/c1-16-5-14-23(20-16)18-8-10-21(11-9-18)15-17-6-12-22(13-7-17)19(2,3)4/h5,14,17-18H,6-13,15H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine?
1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine has a molecular weight of 318.51 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[[4-(3-methylpyrazol-1-yl)piperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 171576643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).