4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine

C15H30N2 — CID 160991288

IUPAC4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine
SMILESCN1CCC(C[C@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C15H30N2/c1-15(2,3)17-10-7-14(12-17)11-13-5-8-16(4)9-6-13/h13-14H,5-12H2,1-4H3/t14-/m1/s1
InChIKeyFMBWMKXHAHGWBE-CQSZACIVSA-N
MW238.42 g/mol
LogP2.84
Rot. Bonds2

About 4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine

4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine (PubChem CID 160991288) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine
PubChem CID160991288
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine
SMILESCN1CCC(C[C@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C15H30N2/c1-15(2,3)17-10-7-14(12-17)11-13-5-8-16(4)9-6-13/h13-14H,5-12H2,1-4H3/t14-/m1/s1
InChIKeyFMBWMKXHAHGWBE-CQSZACIVSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-(1-methyl-pyrrolidin-2-yl)-piperidine
CID 44335229
Piperidine, 3-(4-(dimethylamino)butyl)-1-methyl-
CID 410617
3-(1-Methyl-pyrrolidin-2-yl)-1-octyl-piperidine
CID 44335442
Piperidine, 1,2,2,4-tetramethyl-
CID 23423757
1,2,4,6-Tetramethylpiperidine
CID 435108
1,2,2,3-Tetramethylpiperidine
CID 18761772
Tetraethyl pyrrolidine
CID 129816013
1-(1-Methylcyclopentyl)piperidine
CID 201005
1,5-Diethyl-2-methylpiperidine
CID 3030468
1-methyl-4-[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine
CID 118303184
4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methylpiperidine
CID 118303186
1-Methyl-4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine
CID 118303188

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine (CID 160991288) is 4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine is CN1CCC(C[C@H]2CCN(C(C)(C)C)C2)CC1.
What is the InChIKey of 4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine?
The InChIKey is FMBWMKXHAHGWBE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30N2/c1-15(2,3)17-10-7-14(12-17)11-13-5-8-16(4)9-6-13/h13-14H,5-12H2,1-4H3/t14-/m1/s1.
What are the key properties of 4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine?
4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine has a molecular weight of 238.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]-1-methylpiperidine is sourced from PubChem (CID 160991288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).