N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride

C21H42Cl2N2 — CID 3064208

IUPACN,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride
SMILESC1CCC(CN(CCN2CCCCC2)CC2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C21H40N2.2ClH/c1-4-10-20(11-5-1)18-23(19-21-12-6-2-7-13-21)17-16-22-14-8-3-9-15-22;;/h20-21H,1-19H2;2*1H
InChIKeyDGGCHOIJZBAYIA-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.78
Rot. Bonds7

About N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride

N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride (PubChem CID 3064208) has the molecular formula C21H42Cl2N2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride
PubChem CID3064208
Molecular FormulaC21H42Cl2N2
Molecular Weight393.49 g/mol
Exact Mass392.27
IUPAC NameN,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride
SMILESC1CCC(CN(CCN2CCCCC2)CC2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C21H40N2.2ClH/c1-4-10-20(11-5-1)18-23(19-21-12-6-2-7-13-21)17-16-22-14-8-3-9-15-22;;/h20-21H,1-19H2;2*1H
InChIKeyDGGCHOIJZBAYIA-UHFFFAOYSA-N
XLogP5.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride?
The IUPAC name of N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride (CID 3064208) is N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride.
What is the SMILES notation for N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride?
The canonical SMILES for N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride is C1CCC(CN(CCN2CCCCC2)CC2CCCCC2)CC1.Cl.Cl.
What is the InChIKey of N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride?
The InChIKey is DGGCHOIJZBAYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2.2ClH/c1-4-10-20(11-5-1)18-23(19-21-12-6-2-7-13-21)17-16-22-14-8-3-9-15-22;;/h20-21H,1-19H2;2*1H.
What are the key properties of N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride?
N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride has a molecular weight of 393.49 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclohexylmethyl)-2-piperidin-1-ylethanamine;dihydrochloride is sourced from PubChem (CID 3064208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).