(2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine

C19H37N3 — CID 170954100

IUPAC(2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine
SMILESCCC(C)C1CC(N2CCN(CC3CCNCC3)[C@H](C)C2)C1
InChIInChI=1S/C19H37N3/c1-4-15(2)18-11-19(12-18)22-10-9-21(16(3)13-22)14-17-5-7-20-8-6-17/h15-20H,4-14H2,1-3H3/t15?,16-,18?,19?/m1/s1
InChIKeyYEQCWHKEXLFQDG-BLULRWNPSA-N
MW307.53 g/mol
LogP2.82
Rot. Bonds5

About (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine

(2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine (PubChem CID 170954100) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name(2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine
PubChem CID170954100
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name(2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine
SMILESCCC(C)C1CC(N2CCN(CC3CCNCC3)[C@H](C)C2)C1
InChIInChI=1S/C19H37N3/c1-4-15(2)18-11-19(12-18)22-10-9-21(16(3)13-22)14-17-5-7-20-8-6-17/h15-20H,4-14H2,1-3H3/t15?,16-,18?,19?/m1/s1
InChIKeyYEQCWHKEXLFQDG-BLULRWNPSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine 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

2,4-dimethyl-1-(piperidin-4-ylmethyl)piperazine;2-methylpropane
CID 165137195
2-methyl-1-(piperidin-4-ylmethyl)piperazine;propane
CID 156712071
4-[(2-methylpyrrolidin-1-yl)methyl]piperidine;dihydrochloride
CID 57445880
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176985470
1,2,3-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 120854846
4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]piperidine
CID 148627531
3-butan-2-yl-1-(cyclopentylmethyl)-7-methyl-1,4-diazepane
CID 64871545
2-[(4-ethylcyclohexyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939317
5-methyl-4-(piperidin-4-ylmethyl)-1,4-thiazepane 1,1-dioxide;hydrochloride
CID 120857963
1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethanol;hydrochloride
CID 119931316

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine?
The IUPAC name of (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine (CID 170954100) is (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine.
What is the SMILES notation for (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine?
The canonical SMILES for (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine is CCC(C)C1CC(N2CCN(CC3CCNCC3)[C@H](C)C2)C1.
What is the InChIKey of (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine?
The InChIKey is YEQCWHKEXLFQDG-BLULRWNPSA-N. The full InChI is InChI=1S/C19H37N3/c1-4-15(2)18-11-19(12-18)22-10-9-21(16(3)13-22)14-17-5-7-20-8-6-17/h15-20H,4-14H2,1-3H3/t15?,16-,18?,19?/m1/s1.
What are the key properties of (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine?
(2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine has a molecular weight of 307.53 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-butan-2-ylcyclobutyl)-2-methyl-1-(piperidin-4-ylmethyl)piperazine is sourced from PubChem (CID 170954100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).