4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride

C16H32ClN3O — CID 120905741

IUPAC4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
SMILESCC1(CN2CCC[C@@H](CN3CCOCC3)C2)CCNC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-16(4-5-17-13-16)14-19-6-2-3-15(12-19)11-18-7-9-20-10-8-18;/h15,17H,2-14H2,1H3;1H/t15-,16?;/m0./s1
InChIKeyARIDHHFJBZMLNA-VPVGQWTESA-N
MW317.91 g/mol
LogP1.45
Rot. Bonds4

About 4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride

4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride (PubChem CID 120905741) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
PubChem CID120905741
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
SMILESCC1(CN2CCC[C@@H](CN3CCOCC3)C2)CCNC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-16(4-5-17-13-16)14-19-6-2-3-15(12-19)11-18-7-9-20-10-8-18;/h15,17H,2-14H2,1H3;1H/t15-,16?;/m0./s1
InChIKeyARIDHHFJBZMLNA-VPVGQWTESA-N
XLogP1.45
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899331
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride
CID 120901831
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900572
1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride
CID 120899306
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 120897218
3-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122767
1-[(3-methylpyrrolidin-3-yl)methyl]-4-(oxan-4-yl)piperazine;hydrochloride
CID 120900887
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
2-(cyclopropylmethoxymethyl)-4-[(3-methylpyrrolidin-3-yl)methyl]morpholine;hydrochloride
CID 120904715

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride?
The IUPAC name of 4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride (CID 120905741) is 4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride is CC1(CN2CCC[C@@H](CN3CCOCC3)C2)CCNC1.Cl.
What is the InChIKey of 4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride?
The InChIKey is ARIDHHFJBZMLNA-VPVGQWTESA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-16(4-5-17-13-16)14-19-6-2-3-15(12-19)11-18-7-9-20-10-8-18;/h15,17H,2-14H2,1H3;1H/t15-,16?;/m0./s1.
What are the key properties of 4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride?
4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride is sourced from PubChem (CID 120905741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).