(3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine

C22H37NO3 — CID 18394750

IUPAC(3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine
SMILESCCCCCN1CC[C@H](CCOc2cccc(OC(C)C)c2)[C@@H](OC)C1
InChIInChI=1S/C22H37NO3/c1-5-6-7-13-23-14-11-19(22(17-23)24-4)12-15-25-20-9-8-10-21(16-20)26-18(2)3/h8-10,16,18-19,22H,5-7,11-15,17H2,1-4H3/t19-,22+/m1/s1
InChIKeyQERKQJZJXDUXJK-KNQAVFIVSA-N
MW363.54 g/mol
LogP4.77
Rot. Bonds11

About (3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine

(3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine (PubChem CID 18394750) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is (3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name(3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine
PubChem CID18394750
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name(3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine
SMILESCCCCCN1CC[C@H](CCOc2cccc(OC(C)C)c2)[C@@H](OC)C1
InChIInChI=1S/C22H37NO3/c1-5-6-7-13-23-14-11-19(22(17-23)24-4)12-15-25-20-9-8-10-21(16-20)26-18(2)3/h8-10,16,18-19,22H,5-7,11-15,17H2,1-4H3/t19-,22+/m1/s1
InChIKeyQERKQJZJXDUXJK-KNQAVFIVSA-N
XLogP4.77
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.54
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-4-[2-(3-chlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidine
CID 18394749
(3S,4R)-3-methoxy-4-[2-(3-methoxyphenoxy)ethyl]-1-pentylpiperidine;oxalic acid
CID 158967842
(3R,4S)-3-methoxy-4-[2-(4-nitrophenoxy)ethyl]-1-pentylpiperidine
CID 18394732
(3S,4S)-4-[2-(3,4-dichlorophenoxy)ethyl]-3-(3-methylbut-2-enoxy)-1-pentylpiperidine;oxalic acid
CID 160866816
1-pentyl-3-[(3-propan-2-ylphenoxy)methyl]piperidine;hydrochloride
CID 67869623
(2R,6R)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholine
CID 7379895
4-(3-propan-2-yloxyphenyl)-1-propylpiperidine
CID 71653291
1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine
CID 11836207
3-[(3-methoxyphenoxy)methyl]-1-pentyl-4-thiophen-3-ylpiperidine
CID 19900546
1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
CID 67834138
1-[3-(3-methoxyphenoxy)propyl]piperidin-4-amine
CID 28802855
1-[3-(3-butan-2-yloxyphenoxy)propyl]-4-methylpiperazine;hydrochloride
CID 2994067

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine?
The IUPAC name of (3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine (CID 18394750) is (3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine.
What is the SMILES notation for (3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine?
The canonical SMILES for (3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine is CCCCCN1CC[C@H](CCOc2cccc(OC(C)C)c2)[C@@H](OC)C1.
What is the InChIKey of (3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine?
The InChIKey is QERKQJZJXDUXJK-KNQAVFIVSA-N. The full InChI is InChI=1S/C22H37NO3/c1-5-6-7-13-23-14-11-19(22(17-23)24-4)12-15-25-20-9-8-10-21(16-20)26-18(2)3/h8-10,16,18-19,22H,5-7,11-15,17H2,1-4H3/t19-,22+/m1/s1.
What are the key properties of (3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine?
(3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine has a molecular weight of 363.54 g/mol, XLogP of 4.77, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methoxy-1-pentyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]piperidine is sourced from PubChem (CID 18394750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).