4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine

C23H37N3O — CID 95894428

IUPAC4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
SMILESC[C@H](C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1)N1CCCC1
InChIInChI=1S/C23H37N3O/c1-20(26-9-2-3-10-26)23-7-11-24(12-8-23)18-21-5-4-6-22(17-21)19-25-13-15-27-16-14-25/h4-6,17,20,23H,2-3,7-16,18-19H2,1H3/t20-/m1/s1
InChIKeyQETQHUMIYRFDFT-HXUWFJFHSA-N
MW371.57 g/mol
LogP3.22
Rot. Bonds6

About 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine

4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine (PubChem CID 95894428) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
PubChem CID95894428
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine
SMILESC[C@H](C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1)N1CCCC1
InChIInChI=1S/C23H37N3O/c1-20(26-9-2-3-10-26)23-7-11-24(12-8-23)18-21-5-4-6-22(17-21)19-25-13-15-27-16-14-25/h4-6,17,20,23H,2-3,7-16,18-19H2,1H3/t20-/m1/s1
InChIKeyQETQHUMIYRFDFT-HXUWFJFHSA-N
XLogP3.22
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine with MolForge

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Related Compounds

4-[1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70784455
3-methyl-1-[1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]piperidin-4-yl]butan-1-ol
CID 70749351
4-[[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]methyl]phenol
CID 95894012
4-[1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]ethyl]morpholine
CID 70705816
1-methyl-4-[1-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]ethyl]piperazine
CID 70740799
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
4-[1-[1-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]ethyl]morpholine
CID 118789031
3-[[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 70753604
1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine
CID 95144480

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine (CID 95894428) is 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine is C[C@H](C1CCN(Cc2cccc(CN3CCOCC3)c2)CC1)N1CCCC1.
What is the InChIKey of 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine?
The InChIKey is QETQHUMIYRFDFT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H37N3O/c1-20(26-9-2-3-10-26)23-7-11-24(12-8-23)18-21-5-4-6-22(17-21)19-25-13-15-27-16-14-25/h4-6,17,20,23H,2-3,7-16,18-19H2,1H3/t20-/m1/s1.
What are the key properties of 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine?
4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine has a molecular weight of 371.57 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]methyl]phenyl]methyl]morpholine is sourced from PubChem (CID 95894428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).