1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine

C16H32N2 — CID 117271670

IUPAC1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine
SMILESCC(C)C1(CCC2CCCN(C)C2)CCCCN1
InChIInChI=1S/C16H32N2/c1-14(2)16(9-4-5-11-17-16)10-8-15-7-6-12-18(3)13-15/h14-15,17H,4-13H2,1-3H3
InChIKeyWAZPWKLUZINSOT-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About 1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine

1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine (PubChem CID 117271670) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine
PubChem CID117271670
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine
SMILESCC(C)C1(CCC2CCCN(C)C2)CCCCN1
InChIInChI=1S/C16H32N2/c1-14(2)16(9-4-5-11-17-16)10-8-15-7-6-12-18(3)13-15/h14-15,17H,4-13H2,1-3H3
InChIKeyWAZPWKLUZINSOT-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[2-(2-methylpyrrolidin-2-yl)ethyl]piperidine
CID 117271478
2-[2-(oxan-3-yl)ethyl]-2-propan-2-ylpiperidine
CID 117271658
2-propan-2-yl-2-[2-(1-propan-2-ylpyrrolidin-2-yl)ethyl]piperidine
CID 117271634
1-methyl-2-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine
CID 117271649
2-methyl-2-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidine
CID 117271582
1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine
CID 117271318
2-propan-2-yl-2-(2-pyrrolidin-2-ylethyl)piperidine
CID 117271627
2-propan-2-yl-2-[2-(thian-3-yl)ethyl]pyrrolidine
CID 117271476
1-ethyl-2-[2-(2-propan-2-ylpyrrolidin-2-yl)ethyl]piperidine
CID 117271466
2-(2-methoxyethyl)-2-propan-2-ylpiperidine
CID 117271109
9-[(1-methylpiperidin-3-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947685
2-(oxan-3-ylmethyl)-2-propan-2-ylpiperidine
CID 117271301

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine?
The IUPAC name of 1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine (CID 117271670) is 1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine.
What is the SMILES notation for 1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine?
The canonical SMILES for 1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine is CC(C)C1(CCC2CCCN(C)C2)CCCCN1.
What is the InChIKey of 1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine?
The InChIKey is WAZPWKLUZINSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)16(9-4-5-11-17-16)10-8-15-7-6-12-18(3)13-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine?
1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine is sourced from PubChem (CID 117271670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).