tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate

C30H37NO5 — CID 91308798

IUPACtert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
SMILESCOc1c(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(CCO)cc2)ccc2ccccc12
InChIInChI=1S/C30H37NO5/c1-30(2,3)36-29(33)31-17-15-25(23-11-9-21(10-12-23)16-18-32)27(19-31)35-20-24-14-13-22-7-5-6-8-26(22)28(24)34-4/h5-14,25,27,32H,15-20H2,1-4H3
InChIKeyVZSCKNKMTOMHID-UHFFFAOYSA-N
MW491.63 g/mol
LogP5.69
Rot. Bonds7

About tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate

tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate (PubChem CID 91308798) has the molecular formula C30H37NO5 and a molecular weight of 491.63 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
PubChem CID91308798
Molecular FormulaC30H37NO5
Molecular Weight491.63 g/mol
Exact Mass491.27
IUPAC Nametert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
SMILESCOc1c(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(CCO)cc2)ccc2ccccc12
InChIInChI=1S/C30H37NO5/c1-30(2,3)36-29(33)31-17-15-25(23-11-9-21(10-12-23)16-18-32)27(19-31)35-20-24-14-13-22-7-5-6-8-26(22)28(24)34-4/h5-14,25,27,32H,15-20H2,1-4H3
InChIKeyVZSCKNKMTOMHID-UHFFFAOYSA-N
XLogP5.69
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-phenoxyethyl)phenyl]piperidine-1-carboxylate
CID 54214747
tert-butyl 4-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 54275954
4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
tert-butyl 4-[4-[(E)-3-hydroxyprop-1-enyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 139787592
tert-butyl 4-[4-[2-(4-methoxybenzoyl)oxyethoxy]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 86604407
tert-butyl 4-[4-[2-(3-methoxybenzoyl)oxyethyl]phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 54301673
tert-butyl 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-(3-methoxyphenoxy)propoxy]phenyl]piperidine-1-carboxylate
CID 91322053
tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[4-[(E)-4-phenoxybut-2-enoxy]phenyl]piperidine-1-carboxylate
CID 86604489
tert-butyl 4-(furan-3-yl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 69224292
benzoyl chloride;tert-butyl 4-[4-(3-benzoyloxypropyl)phenyl]-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
CID 159062385
tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[4-(4-phenylmethoxybutoxy)phenyl]piperidine-1-carboxylate
CID 54446458
tert-butyl (3R,4R)-4-[4-(3-hydroxypropoxy)phenyl]-3-(quinolin-7-ylmethoxy)piperidine-1-carboxylate
CID 57265518

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate (CID 91308798) is tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate is COc1c(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(CCO)cc2)ccc2ccccc12.
What is the InChIKey of tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is VZSCKNKMTOMHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO5/c1-30(2,3)36-29(33)31-17-15-25(23-11-9-21(10-12-23)16-18-32)27(19-31)35-20-24-14-13-22-7-5-6-8-26(22)28(24)34-4/h5-14,25,27,32H,15-20H2,1-4H3.
What are the key properties of tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate has a molecular weight of 491.63 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 91308798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).