(3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine

C15H29NO2 — CID 164926661

IUPAC(3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine
SMILESCOC1CCCC1OCC(C)[C@@H]1CCCN(C)C1
InChIInChI=1S/C15H29NO2/c1-12(13-6-5-9-16(2)10-13)11-18-15-8-4-7-14(15)17-3/h12-15H,4-11H2,1-3H3/t12?,13-,14?,15?/m1/s1
InChIKeyIDDLAEAMBDNDMD-MXTXEEQBSA-N
MW255.40 g/mol
LogP2.55
Rot. Bonds5

About (3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine

(3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine (PubChem CID 164926661) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name(3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine
PubChem CID164926661
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine
SMILESCOC1CCCC1OCC(C)[C@@H]1CCCN(C)C1
InChIInChI=1S/C15H29NO2/c1-12(13-6-5-9-16(2)10-13)11-18-15-8-4-7-14(15)17-3/h12-15H,4-11H2,1-3H3/t12?,13-,14?,15?/m1/s1
InChIKeyIDDLAEAMBDNDMD-MXTXEEQBSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[1-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-1-methylpiperidine
CID 170053035
4-methoxy-3-(1-methylpiperidin-3-yl)butan-1-amine
CID 115022101
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
1-methyl-3-(2-methylpropoxy)piperidine
CID 155123264
1-methyl-3-(2-methylpentan-3-yl)piperidine
CID 137432398
3-methoxy-3-(1-methylpiperidin-3-yl)propan-1-amine
CID 105442328
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
1-methyl-3-(2-propan-2-yloxyethyl)piperidine
CID 169034936
1-methoxy-2-propan-2-yloxycyclopentane
CID 77170188
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine
CID 58945115
ethoxy-(1-methylpiperidin-3-yl)methanol
CID 90952315

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine?
The IUPAC name of (3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine (CID 164926661) is (3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine.
What is the SMILES notation for (3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine?
The canonical SMILES for (3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine is COC1CCCC1OCC(C)[C@@H]1CCCN(C)C1.
What is the InChIKey of (3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine?
The InChIKey is IDDLAEAMBDNDMD-MXTXEEQBSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(13-6-5-9-16(2)10-13)11-18-15-8-4-7-14(15)17-3/h12-15H,4-11H2,1-3H3/t12?,13-,14?,15?/m1/s1.
What are the key properties of (3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine?
(3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine has a molecular weight of 255.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[1-(2-methoxycyclopentyl)oxypropan-2-yl]-1-methylpiperidine is sourced from PubChem (CID 164926661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).