2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid

C19H24N2O2 — CID 68849804

IUPAC2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O2/c22-19(23)20-11-8-15-9-12-21(13-10-15)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-7,15,20H,8-14H2,(H,22,23)
InChIKeyOJGGNCZVAVUJBC-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.71
Rot. Bonds5

About 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid

2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid (PubChem CID 68849804) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
PubChem CID68849804
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C19H24N2O2/c22-19(23)20-11-8-15-9-12-21(13-10-15)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-7,15,20H,8-14H2,(H,22,23)
InChIKeyOJGGNCZVAVUJBC-UHFFFAOYSA-N
XLogP3.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849796
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
1-(naphthalen-1-ylmethyl)-N-phenylpiperidine-4-carboxamide
CID 18089122
1-ethyl-3-[[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]methyl]urea
CID 56739137
4-(2-benzhydryloxyethyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 101165281
4-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]piperidine;oxalic acid
CID 2911508
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-4-phenylpiperazine;oxalic acid
CID 17369313
1-(naphthalen-1-ylmethyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 60609439
N-(1-hydroxy-2-methylpropan-2-yl)-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 51362423
2-(cyclopropylmethylamino)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 119834681

Frequently Asked Questions

What is the IUPAC name of 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid (CID 68849804) is 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid is O=C(O)NCCC1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid?
The InChIKey is OJGGNCZVAVUJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-19(23)20-11-8-15-9-12-21(13-10-15)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-7,15,20H,8-14H2,(H,22,23).
What are the key properties of 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid?
2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid has a molecular weight of 312.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethylcarbamic acid is sourced from PubChem (CID 68849804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).