[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride

C20H29ClN2O2 — CID 119623869

IUPAC[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1OCC1CC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H28N2O2.ClH/c23-20(18-3-1-2-4-19(18)24-14-16-7-8-16)22-11-9-17(10-12-22)21-13-15-5-6-15;/h1-4,15-17,21H,5-14H2;1H
InChIKeyCVAQWTKQLMLRFE-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.50
Rot. Bonds7

About [2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride

[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119623869) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is [2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119623869
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1OCC1CC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C20H28N2O2.ClH/c23-20(18-3-1-2-4-19(18)24-14-16-7-8-16)22-11-9-17(10-12-22)21-13-15-5-6-15;/h1-4,15-17,21H,5-14H2;1H
InChIKeyCVAQWTKQLMLRFE-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenoxy]acetamide
CID 119625161
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethylphenyl)methanone
CID 115307122
(2-ethoxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60817895
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methoxynaphthalen-1-yl)methanone;hydrochloride
CID 119623313
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846409
[4-(cyclopropylmethylamino)piperidin-1-yl]-[2-(2,3-dimethylanilino)phenyl]methanone
CID 119625088
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 119624589
N-[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]ethanesulfonamide
CID 119624813
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119623457

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride (CID 119623869) is [2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccccc1OCC1CC1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of [2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is CVAQWTKQLMLRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c23-20(18-3-1-2-4-19(18)24-14-16-7-8-16)22-11-9-17(10-12-22)21-13-15-5-6-15;/h1-4,15-17,21H,5-14H2;1H.
What are the key properties of [2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride?
[2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxy)phenyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119623869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).