tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate

C22H40N2O3 — CID 171080206

IUPACtert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC2CCC(OC3CCNCC3)CC2)CC1
InChIInChI=1S/C22H40N2O3/c1-22(2,3)27-21(25)24-14-10-18(11-15-24)16-17-4-6-19(7-5-17)26-20-8-12-23-13-9-20/h17-20,23H,4-16H2,1-3H3
InChIKeyFXDNIRGECMJUIY-UHFFFAOYSA-N
MW380.57 g/mol
LogP4.35
Rot. Bonds4

About tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate

tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate (PubChem CID 171080206) has the molecular formula C22H40N2O3 and a molecular weight of 380.57 g/mol. Its IUPAC name is tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate
PubChem CID171080206
Molecular FormulaC22H40N2O3
Molecular Weight380.57 g/mol
Exact Mass380.30
IUPAC Nametert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC2CCC(OC3CCNCC3)CC2)CC1
InChIInChI=1S/C22H40N2O3/c1-22(2,3)27-21(25)24-14-10-18(11-15-24)16-17-4-6-19(7-5-17)26-20-8-12-23-13-9-20/h17-20,23H,4-16H2,1-3H3
InChIKeyFXDNIRGECMJUIY-UHFFFAOYSA-N
XLogP4.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.57
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-[2-(piperidin-4-yloxy)ethyl]piperidine-1-carboxylate
CID 165673908
(2,6-Diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate
CID 54197101
5-Butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 59657471
5-[(4-Methoxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 68758424
5-[(4-Hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 68760463
4-Butyl-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 69052874
Tert-butyl 4-{[trans-4-(aminomethyl)cyclohexyl]oxy}piperidine-1-carboxylate
CID 146599311
(2-Methyl-5-piperidin-4-ylhexan-2-yl) 4-propan-2-ylpiperidine-1-carboxylate
CID 146609538
Tert-butyl 4-(5-amino-2-cyclohexylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 156280897
tert-butyl (3R)-3-(3-amino-5-cyclohexylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 156281035
Tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate;4-cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrochloride
CID 162105552
5-(1-Aminobutyl)-3-(cyclohexylmethyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
CID 163493036

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate (CID 171080206) is tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC2CCC(OC3CCNCC3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate?
The InChIKey is FXDNIRGECMJUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O3/c1-22(2,3)27-21(25)24-14-10-18(11-15-24)16-17-4-6-19(7-5-17)26-20-8-12-23-13-9-20/h17-20,23H,4-16H2,1-3H3.
What are the key properties of tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate has a molecular weight of 380.57 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 171080206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).