(3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine

C17H34N2 — CID 176983713

IUPAC(3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine
SMILESCCC1CCN(C[C@H]2CCN(C(C)C)C[C@H]2C)CC1
InChIInChI=1S/C17H34N2/c1-5-16-6-9-18(10-7-16)13-17-8-11-19(14(2)3)12-15(17)4/h14-17H,5-13H2,1-4H3/t15-,17-/m1/s1
InChIKeyPHQBDVKYCYMTIJ-NVXWUHKLSA-N
MW266.47 g/mol
LogP3.47
Rot. Bonds4

About (3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine

(3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine (PubChem CID 176983713) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is (3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine
PubChem CID176983713
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name(3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine
SMILESCCC1CCN(C[C@H]2CCN(C(C)C)C[C@H]2C)CC1
InChIInChI=1S/C17H34N2/c1-5-16-6-9-18(10-7-16)13-17-8-11-19(14(2)3)12-15(17)4/h14-17H,5-13H2,1-4H3/t15-,17-/m1/s1
InChIKeyPHQBDVKYCYMTIJ-NVXWUHKLSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 20664177
(3S,4R)-3-fluoro-1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 170629430
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
(3R,4R)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 170359650
(3S,4S)-3,4-dimethyl-1-propan-2-ylpiperidine
CID 147690479
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
3-[(3-ethylcyclobutyl)methyl]-1-propan-2-ylpyrrolidine
CID 177228245
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
2-[(4-ethylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 62609501
4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
CID 163560284

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine?
The IUPAC name of (3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine (CID 176983713) is (3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine.
What is the SMILES notation for (3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine?
The canonical SMILES for (3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine is CCC1CCN(C[C@H]2CCN(C(C)C)C[C@H]2C)CC1.
What is the InChIKey of (3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine?
The InChIKey is PHQBDVKYCYMTIJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-16-6-9-18(10-7-16)13-17-8-11-19(14(2)3)12-15(17)4/h14-17H,5-13H2,1-4H3/t15-,17-/m1/s1.
What are the key properties of (3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine?
(3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine has a molecular weight of 266.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(4-ethylpiperidin-1-yl)methyl]-3-methyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 176983713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).