1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

C19H37N3 — CID 170952684

IUPAC1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC1CC(C)(N2CCN(CC3CCN(C(C)C)CC3)CC2)C1
InChIInChI=1S/C19H37N3/c1-16(2)21-7-5-18(6-8-21)15-20-9-11-22(12-10-20)19(4)13-17(3)14-19/h16-18H,5-15H2,1-4H3
InChIKeyROIUDTKPTCGBAK-UHFFFAOYSA-N
MW307.53 g/mol
LogP2.91
Rot. Bonds4

About 1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine

1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (PubChem CID 170952684) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
PubChem CID170952684
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
SMILESCC1CC(C)(N2CCN(CC3CCN(C(C)C)CC3)CC2)C1
InChIInChI=1S/C19H37N3/c1-16(2)21-7-5-18(6-8-21)15-20-9-11-22(12-10-20)19(4)13-17(3)14-19/h16-18H,5-15H2,1-4H3
InChIKeyROIUDTKPTCGBAK-UHFFFAOYSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
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-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
2,6-dimethyl-1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 167417683
1-[(3-fluoro-3-methylcyclobutyl)methyl]-4-propan-2-ylpiperazine
CID 126752886
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-[3-(difluoromethyl)-3-propan-2-ylcyclobutyl]-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170951744
1-propan-2-yl-4-[[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]methyl]piperidine
CID 168786072
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
1-[[1-(2-fluoroethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 177062108

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine (CID 170952684) is 1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is CC1CC(C)(N2CCN(CC3CCN(C(C)C)CC3)CC2)C1.
What is the InChIKey of 1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
The InChIKey is ROIUDTKPTCGBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-16(2)21-7-5-18(6-8-21)15-20-9-11-22(12-10-20)19(4)13-17(3)14-19/h16-18H,5-15H2,1-4H3.
What are the key properties of 1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine?
1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine has a molecular weight of 307.53 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylcyclobutyl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 170952684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).