2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine

C16H32N2 — CID 114431378

IUPAC2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine
SMILESCCC1CCNC(CN2CCC(C(C)(C)C)C2)C1
InChIInChI=1S/C16H32N2/c1-5-13-6-8-17-15(10-13)12-18-9-7-14(11-18)16(2,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyFVCQOAXFKUJBQG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds3

About 2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine

2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine (PubChem CID 114431378) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine.

Molecular Properties

Compound Name2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine
PubChem CID114431378
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine
SMILESCCC1CCNC(CN2CCC(C(C)(C)C)C2)C1
InChIInChI=1S/C16H32N2/c1-5-13-6-8-17-15(10-13)12-18-9-7-14(11-18)16(2,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyFVCQOAXFKUJBQG-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethylpiperidin-2-yl)methyl]thiomorpholine
CID 114430708
1-[(4-ethylpiperidin-2-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 114431092
1-[(4-ethylpiperidin-2-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490142
(4-tert-butylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114428893
1-[(4-ethylpiperidin-2-yl)methyl]-2,5-dimethylpiperidine
CID 114431246
1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol
CID 114426002
4-tert-butyl-1-[[(2S)-pyrrolidin-2-yl]methyl]azepane
CID 104870241
1-ethyl-N-[(4-ethylpiperidin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 114430948
1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 114430782
3-tert-butyl-1-[2-methyl-2-(oxetan-3-yl)propyl]pyrrolidine
CID 130402090
N-[(4-ethylpiperidin-2-yl)methyl]-N,2,2-trimethylpropan-1-amine
CID 114430998
4-ethyl-2-(3-methoxy-3-methylbutyl)piperidine
CID 103037375

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine?
The IUPAC name of 2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine (CID 114431378) is 2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine.
What is the SMILES notation for 2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine?
The canonical SMILES for 2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine is CCC1CCNC(CN2CCC(C(C)(C)C)C2)C1.
What is the InChIKey of 2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine?
The InChIKey is FVCQOAXFKUJBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-13-6-8-17-15(10-13)12-18-9-7-14(11-18)16(2,3)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of 2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine?
2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butylpyrrolidin-1-yl)methyl]-4-ethylpiperidine is sourced from PubChem (CID 114431378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).