(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine

C19H37N3 — CID 171641277

IUPAC(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
SMILESCCN1CCC[C@H](CN2CCC(C3CCN(C)CC3)CC2)C1
InChIInChI=1S/C19H37N3/c1-3-21-10-4-5-17(15-21)16-22-13-8-19(9-14-22)18-6-11-20(2)12-7-18/h17-19H,3-16H2,1-2H3/t17-/m0/s1
InChIKeyPQSJIOJSPOLQFR-KRWDZBQOSA-N
MW307.53 g/mol
LogP2.77
Rot. Bonds4

About (3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine

(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine (PubChem CID 171641277) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is (3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
PubChem CID171641277
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
SMILESCCN1CCC[C@H](CN2CCC(C3CCN(C)CC3)CC2)C1
InChIInChI=1S/C19H37N3/c1-3-21-10-4-5-17(15-21)16-22-13-8-19(9-14-22)18-6-11-20(2)12-7-18/h17-19H,3-16H2,1-2H3/t17-/m0/s1
InChIKeyPQSJIOJSPOLQFR-KRWDZBQOSA-N
XLogP2.77
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine
CID 171641483
1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine
CID 171641813
1-ethyl-4-(1-methylpiperidin-4-yl)piperidine
CID 70910959
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
1-[[(3R)-1-methylpiperidin-3-yl]methyl]piperidin-4-ol
CID 156719953
(3aR,7aS)-5-ethyl-2-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 177154446
ethane;1-[(1-ethylpiperidin-4-yl)methyl]-4-methylpiperazine
CID 163403762
3-[[3-(aziridin-1-ylmethyl)azetidin-1-yl]methyl]-1-methylpyrrolidine
CID 91076438

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine?
The IUPAC name of (3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine (CID 171641277) is (3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine.
What is the SMILES notation for (3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine?
The canonical SMILES for (3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine is CCN1CCC[C@H](CN2CCC(C3CCN(C)CC3)CC2)C1.
What is the InChIKey of (3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine?
The InChIKey is PQSJIOJSPOLQFR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H37N3/c1-3-21-10-4-5-17(15-21)16-22-13-8-19(9-14-22)18-6-11-20(2)12-7-18/h17-19H,3-16H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine?
(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine has a molecular weight of 307.53 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 171641277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).