(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine

C12H25N — CID 11789881

IUPAC(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine
SMILESCC[C@H](C)C[C@H]1CCCN(CC)C1
InChIInChI=1S/C12H25N/c1-4-11(3)9-12-7-6-8-13(5-2)10-12/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyDYZADDXQHPDPNW-NWDGAFQWSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds4

About (3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine

(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine (PubChem CID 11789881) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine.

Molecular Properties

Compound Name(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine
PubChem CID11789881
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine
SMILESCC[C@H](C)C[C@H]1CCCN(CC)C1
InChIInChI=1S/C12H25N/c1-4-11(3)9-12-7-6-8-13(5-2)10-12/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyDYZADDXQHPDPNW-NWDGAFQWSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(2-methylpropyl)piperidine;1-ethyl-3-(2-methylpropyl)piperidine
CID 169241986
3-(2-bromoethyl)-1-(2-methylbutyl)piperidine
CID 80691877
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
1-(2-methylbutyl)azocan-5-amine
CID 138578354
azane;2-methylbutylcyclohexane
CID 143986613
2-(1-ethylpiperidin-3-yl)acetonitrile
CID 83914081
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
N-(1-cyclobutylpropan-2-yl)-1-ethylpiperidin-3-amine
CID 115711406
N-[(1-ethylpiperidin-3-yl)methyl]hexan-2-amine
CID 115714713
ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592
(3R)-1-ethyl-3-(2-methoxyethyl)piperidine
CID 173019182

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine?
The IUPAC name of (3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine (CID 11789881) is (3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine.
What is the SMILES notation for (3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine?
The canonical SMILES for (3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine is CC[C@H](C)C[C@H]1CCCN(CC)C1.
What is the InChIKey of (3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine?
The InChIKey is DYZADDXQHPDPNW-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H25N/c1-4-11(3)9-12-7-6-8-13(5-2)10-12/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of (3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine?
(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine is sourced from PubChem (CID 11789881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).