1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine

C18H37N3 — CID 170448226

IUPAC1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CCN(C(C)C)CC2(C)C)CC1
InChIInChI=1S/C18H37N3/c1-15(2)20-11-9-19(10-12-20)13-17-7-8-21(16(3)4)14-18(17,5)6/h15-17H,7-14H2,1-6H3
InChIKeyDGSHRFLNFUNIFE-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.77
Rot. Bonds4

About 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine

1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine (PubChem CID 170448226) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
PubChem CID170448226
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CCN(C(C)C)CC2(C)C)CC1
InChIInChI=1S/C18H37N3/c1-15(2)20-11-9-19(10-12-20)13-17-7-8-21(16(3)4)14-18(17,5)6/h15-17H,7-14H2,1-6H3
InChIKeyDGSHRFLNFUNIFE-UHFFFAOYSA-N
XLogP2.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine 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

1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine
CID 126752886
1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952684
(4S)-4-ethyl-3,3-difluoro-1-propan-2-ylpiperidine
CID 157352955
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
2-(1-butan-2-yl-3,3-dimethylpiperidin-4-yl)ethanamine
CID 117024779
3,3-difluoro-1-propan-2-yl-4-propylpiperidine
CID 162618217
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine (CID 170448226) is 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CC2CCN(C(C)C)CC2(C)C)CC1.
What is the InChIKey of 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is DGSHRFLNFUNIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-15(2)20-11-9-19(10-12-20)13-17-7-8-21(16(3)4)14-18(17,5)6/h15-17H,7-14H2,1-6H3.
What are the key properties of 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 295.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethyl-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170448226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).