2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine

C19H33N5 — CID 171429388

IUPAC2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCC(CN3CCN(C(C)(C)C)CC3)CC2)nc1
InChIInChI=1S/C19H33N5/c1-16-13-20-18(21-14-16)23-7-5-17(6-8-23)15-22-9-11-24(12-10-22)19(2,3)4/h13-14,17H,5-12,15H2,1-4H3
InChIKeyXPRHWVQSOCKESR-UHFFFAOYSA-N
MW331.51 g/mol
LogP2.42
Rot. Bonds3

About 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine

2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine (PubChem CID 171429388) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine
PubChem CID171429388
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCC(CN3CCN(C(C)(C)C)CC3)CC2)nc1
InChIInChI=1S/C19H33N5/c1-16-13-20-18(21-14-16)23-7-5-17(6-8-23)15-22-9-11-24(12-10-22)19(2,3)4/h13-14,17H,5-12,15H2,1-4H3
InChIKeyXPRHWVQSOCKESR-UHFFFAOYSA-N
XLogP2.42
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(1-tert-butylpiperidin-4-yl)methyl]-3-(5-methylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 171429536
1-tert-butyl-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171429399
2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine
CID 171429381
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine
CID 171070178
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
N-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 63206358
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171070266
2-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methylpyrimidine
CID 114800840
1-tert-butyl-4-[[3-(4-methylphenyl)pyrrolidin-1-yl]methyl]piperidine
CID 171429424
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
ethane;5-methyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 145380217

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine (CID 171429388) is 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine is Cc1cnc(N2CCC(CN3CCN(C(C)(C)C)CC3)CC2)nc1.
What is the InChIKey of 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine?
The InChIKey is XPRHWVQSOCKESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5/c1-16-13-20-18(21-14-16)23-7-5-17(6-8-23)15-22-9-11-24(12-10-22)19(2,3)4/h13-14,17H,5-12,15H2,1-4H3.
What are the key properties of 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine?
2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine has a molecular weight of 331.51 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 171429388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).