1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine

C14H29N — CID 139460422

IUPAC1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine
SMILESCC(C)[C@@H](C1CCN(C)CC1)C(C)(C)C
InChIInChI=1S/C14H29N/c1-11(2)13(14(3,4)5)12-7-9-15(6)10-8-12/h11-13H,7-10H2,1-6H3/t13-/m0/s1
InChIKeyJAHKORNEEXIYNR-ZDUSSCGKSA-N
MW211.39 g/mol
LogP3.65
Rot. Bonds2

About 1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine

1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine (PubChem CID 139460422) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine
PubChem CID139460422
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine
SMILESCC(C)[C@@H](C1CCN(C)CC1)C(C)(C)C
InChIInChI=1S/C14H29N/c1-11(2)13(14(3,4)5)12-7-9-15(6)10-8-12/h11-13H,7-10H2,1-6H3/t13-/m0/s1
InChIKeyJAHKORNEEXIYNR-ZDUSSCGKSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-2-(1-methylpiperidin-4-yl)butanoic acid
CID 116825069
(1-methylpiperidin-4-yl)methanediol
CID 21366498
1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 170629653
1-methyl-N-(3-methylpentan-3-yl)piperidin-4-amine
CID 115920386
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine
CID 139460270
N-[1-(1-methylpiperidin-4-yl)ethyl]hydroxylamine
CID 59870766
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
1-methyl-4-[1-(1-methylpiperidin-4-yl)propyl]piperidine
CID 20500744
1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
CID 170281150
1-hydroxy-3,3-dimethyl-1-(1-methylpiperidin-4-yl)butan-2-one
CID 116835959
1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine;1-methyl-4-propan-2-ylpiperidine
CID 159802692

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine?
The IUPAC name of 1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine (CID 139460422) is 1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine?
The canonical SMILES for 1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine is CC(C)[C@@H](C1CCN(C)CC1)C(C)(C)C.
What is the InChIKey of 1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine?
The InChIKey is JAHKORNEEXIYNR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)13(14(3,4)5)12-7-9-15(6)10-8-12/h11-13H,7-10H2,1-6H3/t13-/m0/s1.
What are the key properties of 1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine?
1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine has a molecular weight of 211.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3S)-2,2,4-trimethylpentan-3-yl]piperidine is sourced from PubChem (CID 139460422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).