1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine

C19H30N2O — CID 91843602

IUPAC1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine
SMILESCN1CCCCC1CN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c1-20-12-6-5-9-18(20)15-21-13-10-19(11-14-21)22-16-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3
InChIKeyMDZHXGZTYBFIGI-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.15
Rot. Bonds5

About 1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine

1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine (PubChem CID 91843602) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine
PubChem CID91843602
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine
SMILESCN1CCCCC1CN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H30N2O/c1-20-12-6-5-9-18(20)15-21-13-10-19(11-14-21)22-16-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3
InChIKeyMDZHXGZTYBFIGI-UHFFFAOYSA-N
XLogP3.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 15892976
3-[(2R)-1-methylpiperidin-2-yl]-1-(3-phenylmethoxyazetidin-1-yl)propan-1-one
CID 97200599
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924
azane;cyclopentyloxymethylbenzene
CID 69411306
4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
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1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 70065805
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697
1-methyl-2-[2-[(3R)-3-phenoxypyrrolidin-1-yl]ethyl]piperidine
CID 146135929
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 130580965
benzyl (2R,4S)-4-phenylmethoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylate
CID 25419301
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CID 111113369

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine?
The IUPAC name of 1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine (CID 91843602) is 1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine is CN1CCCCC1CN1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine?
The InChIKey is MDZHXGZTYBFIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-20-12-6-5-9-18(20)15-21-13-10-19(11-14-21)22-16-17-7-3-2-4-8-17/h2-4,7-8,18-19H,5-6,9-16H2,1H3.
What are the key properties of 1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine?
1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine has a molecular weight of 302.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-phenylmethoxypiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 91843602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).