1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine

C22H43N3O — CID 42392613

IUPAC1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
SMILESCOCCN1CCC(CN2CC[C@@H](C3CCN(CC(C)C)CC3)C2)CC1
InChIInChI=1S/C22H43N3O/c1-19(2)16-24-11-6-21(7-12-24)22-8-13-25(18-22)17-20-4-9-23(10-5-20)14-15-26-3/h19-22H,4-18H2,1-3H3/t22-/m1/s1
InChIKeyBTSKLLFYEOBSTP-JOCHJYFZSA-N
MW365.61 g/mol
LogP3.03
Rot. Bonds8

About 1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine

1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine (PubChem CID 42392613) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
PubChem CID42392613
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC Name1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
SMILESCOCCN1CCC(CN2CC[C@@H](C3CCN(CC(C)C)CC3)C2)CC1
InChIInChI=1S/C22H43N3O/c1-19(2)16-24-11-6-21(7-12-24)22-8-13-25(18-22)17-20-4-9-23(10-5-20)14-15-26-3/h19-22H,4-18H2,1-3H3/t22-/m1/s1
InChIKeyBTSKLLFYEOBSTP-JOCHJYFZSA-N
XLogP3.03
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4-[[(3R)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine
CID 42392615
ethane;1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 176581794
1-(2-methoxyethyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091343
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]azepane
CID 47042992
(4aR,8aR)-2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178896
ethane;2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178993
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-[2-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-4-(2-methylpropyl)piperazine
CID 167538514
3-(2-methoxyethoxy)-1-[3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 170230954
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine?
The IUPAC name of 1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine (CID 42392613) is 1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine.
What is the SMILES notation for 1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine?
The canonical SMILES for 1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine is COCCN1CCC(CN2CC[C@@H](C3CCN(CC(C)C)CC3)C2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine?
The InChIKey is BTSKLLFYEOBSTP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H43N3O/c1-19(2)16-24-11-6-21(7-12-24)22-8-13-25(18-22)17-20-4-9-23(10-5-20)14-15-26-3/h19-22H,4-18H2,1-3H3/t22-/m1/s1.
What are the key properties of 1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine?
1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine has a molecular weight of 365.61 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-[[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]piperidine is sourced from PubChem (CID 42392613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).