methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate

C19H34N2O2 — CID 83998859

IUPACmethyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(CC2CC2)CC(NCC2CCCCC2)C1
InChIInChI=1S/C19H34N2O2/c1-23-19(22)14-21-12-17(9-15-7-8-15)10-18(13-21)20-11-16-5-3-2-4-6-16/h15-18,20H,2-14H2,1H3
InChIKeyBTTMQXXZJMODQG-UHFFFAOYSA-N
MW322.49 g/mol
LogP2.82
Rot. Bonds7

About methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate

methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate (PubChem CID 83998859) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
PubChem CID83998859
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Namemethyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(CC2CC2)CC(NCC2CCCCC2)C1
InChIInChI=1S/C19H34N2O2/c1-23-19(22)14-21-12-17(9-15-7-8-15)10-18(13-21)20-11-16-5-3-2-4-6-16/h15-18,20H,2-14H2,1H3
InChIKeyBTTMQXXZJMODQG-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83998325
methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998161
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-methylpiperidin-3-amine
CID 83998283
methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996782
N-(cyclopentylmethyl)-5-(cyclopropylmethyl)-1-(2-methylpropyl)piperidin-3-amine
CID 83997691
N,5-bis(cyclopropylmethyl)-1-ethylpiperidin-3-amine
CID 83996251
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
N,1,5-tris(cyclopropylmethyl)piperidin-3-amine
CID 83996680
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate
CID 83998177

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate (CID 83998859) is methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate is COC(=O)CN1CC(CC2CC2)CC(NCC2CCCCC2)C1.
What is the InChIKey of methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate?
The InChIKey is BTTMQXXZJMODQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-23-19(22)14-21-12-17(9-15-7-8-15)10-18(13-21)20-11-16-5-3-2-4-6-16/h15-18,20H,2-14H2,1H3.
What are the key properties of methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate?
methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate has a molecular weight of 322.49 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 83998859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).