[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride

C17H33ClN2O2 — CID 120633382

IUPAC[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCCC(C(C)C)CC2)CCNCC1.Cl
InChIInChI=1S/C17H32N2O2.ClH/c1-14(2)15-5-4-11-19(12-6-15)16(20)17(13-21-3)7-9-18-10-8-17;/h14-15,18H,4-13H2,1-3H3;1H
InChIKeyRXEQZNXFKRLZOA-UHFFFAOYSA-N
MW332.92 g/mol
LogP2.71
Rot. Bonds4

About [4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride

[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride (PubChem CID 120633382) has the molecular formula C17H33ClN2O2 and a molecular weight of 332.92 g/mol. Its IUPAC name is [4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
PubChem CID120633382
Molecular FormulaC17H33ClN2O2
Molecular Weight332.92 g/mol
Exact Mass332.22
IUPAC Name[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCCC(C(C)C)CC2)CCNCC1.Cl
InChIInChI=1S/C17H32N2O2.ClH/c1-14(2)15-5-4-11-19(12-6-15)16(20)17(13-21-3)7-9-18-10-8-17;/h14-15,18H,4-13H2,1-3H3;1H
InChIKeyRXEQZNXFKRLZOA-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.92
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120642749
[4-(methoxymethyl)piperidin-4-yl]-(1,4-thiazepan-4-yl)methanone;hydrochloride
CID 120648013
3,9-diazaspiro[5.6]dodecan-9-yl-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride
CID 154907919
[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120619483
1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone
CID 120646385
2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120640227
[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 120622590
(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
N-butyl-1-[4-(methoxymethyl)piperidine-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 120624231
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516
2-azaspiro[4.5]decan-2-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120636328

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride?
The IUPAC name of [4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride (CID 120633382) is [4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride?
The canonical SMILES for [4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride is COCC1(C(=O)N2CCCC(C(C)C)CC2)CCNCC1.Cl.
What is the InChIKey of [4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride?
The InChIKey is RXEQZNXFKRLZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2.ClH/c1-14(2)15-5-4-11-19(12-6-15)16(20)17(13-21-3)7-9-18-10-8-17;/h14-15,18H,4-13H2,1-3H3;1H.
What are the key properties of [4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride?
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride has a molecular weight of 332.92 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120633382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).