(3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride

C19H31ClN2O2 — CID 120967118

IUPAC(3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride
SMILESCOCc1cccc(OCC2(CN3CCC[C@@H](N)C3)CCC2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-22-13-16-5-2-7-18(11-16)23-15-19(8-4-9-19)14-21-10-3-6-17(20)12-21;/h2,5,7,11,17H,3-4,6,8-10,12-15,20H2,1H3;1H/t17-;/m1./s1
InChIKeyVQAOGRFWIACOSR-UNTBIKODSA-N
MW354.92 g/mol
LogP3.23
Rot. Bonds7

About (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride

(3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride (PubChem CID 120967118) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride
PubChem CID120967118
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name(3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride
SMILESCOCc1cccc(OCC2(CN3CCC[C@@H](N)C3)CCC2)c1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-22-13-16-5-2-7-18(11-16)23-15-19(8-4-9-19)14-21-10-3-6-17(20)12-21;/h2,5,7,11,17H,3-4,6,8-10,12-15,20H2,1H3;1H/t17-;/m1./s1
InChIKeyVQAOGRFWIACOSR-UNTBIKODSA-N
XLogP3.23
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride with MolForge

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Related Compounds

1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperazine
CID 120965786
[1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967314
(2R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-methylpiperazine;hydrochloride
CID 120966660
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanethioamide
CID 65495363
2-N-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-2-N-methylpropane-1,2-diamine
CID 120966267
4-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]-3-[(S)-methylsulfinyl]-1,2,4-triazole
CID 97063143
3-cyclopropyl-4-ethyl-5-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methylsulfanyl]-1,2,4-triazole
CID 71905891
N'-hydroxy-2-[1-[[3-(methoxymethyl)phenoxy]methyl]cyclopropyl]ethanimidamide
CID 77070744
1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone
CID 119378819
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride (CID 120967118) is (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride is COCc1cccc(OCC2(CN3CCC[C@@H](N)C3)CCC2)c1.Cl.
What is the InChIKey of (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride?
The InChIKey is VQAOGRFWIACOSR-UNTBIKODSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-22-13-16-5-2-7-18(11-16)23-15-19(8-4-9-19)14-21-10-3-6-17(20)12-21;/h2,5,7,11,17H,3-4,6,8-10,12-15,20H2,1H3;1H/t17-;/m1./s1.
What are the key properties of (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride?
(3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-[[3-(methoxymethyl)phenoxy]methyl]cyclobutyl]methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120967118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).