ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine

C18H39N3O — CID 165116457

IUPACethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine
SMILESCC.CC(C)CN1CCC(OC2CCN(CCN)CC2)CC1
InChIInChI=1S/C16H33N3O.C2H6/c1-14(2)13-19-10-5-16(6-11-19)20-15-3-8-18(9-4-15)12-7-17;1-2/h14-16H,3-13,17H2,1-2H3;1-2H3
InChIKeyITDXCMIIDAZFJB-UHFFFAOYSA-N
MW313.53 g/mol
LogP2.57
Rot. Bonds6

About ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine

ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine (PubChem CID 165116457) has the molecular formula C18H39N3O and a molecular weight of 313.53 g/mol. Its IUPAC name is ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine.

Molecular Properties

Compound Nameethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine
PubChem CID165116457
Molecular FormulaC18H39N3O
Molecular Weight313.53 g/mol
Exact Mass313.31
IUPAC Nameethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine
SMILESCC.CC(C)CN1CCC(OC2CCN(CCN)CC2)CC1
InChIInChI=1S/C16H33N3O.C2H6/c1-14(2)13-19-10-5-16(6-11-19)20-15-3-8-18(9-4-15)12-7-17;1-2/h14-16H,3-13,17H2,1-2H3;1-2H3
InChIKeyITDXCMIIDAZFJB-UHFFFAOYSA-N
XLogP2.57
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-(piperidin-4-yloxy)piperidine
CID 23079657
4-Methoxy-1-(piperidin-4-ylmethyl)piperidine
CID 43373052
2-(4-Propan-2-yloxypiperidin-1-yl)ethanamine
CID 54475174
1-[2-(4-Methoxypiperidin-1-yl)ethyl]piperazine
CID 60850386
4-Ethoxy-1-(piperidin-4-ylmethyl)piperidine
CID 61215635
1-Methyl-4-(2-piperidin-4-yloxyethyl)piperazine
CID 63903575
1-Butyl-4-piperidin-4-yloxypiperidine
CID 68968738
1-(Cyclopropylmethyl)-4-(4-piperidinyloxy)piperidine
CID 69353729
3-[1-(2-Methylpropyl)piperidin-4-yl]oxypropan-1-amine
CID 79732126
Ethane;1-methyl-4-piperidin-4-yloxypiperidine
CID 90990469
1-Ethyl-4-piperidin-4-yloxypiperidine
CID 117046276
1-Tert-butyl-4-piperidin-4-yloxypiperidine
CID 117046277

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine?
The IUPAC name of ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine (CID 165116457) is ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine.
What is the SMILES notation for ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine?
The canonical SMILES for ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine is CC.CC(C)CN1CCC(OC2CCN(CCN)CC2)CC1.
What is the InChIKey of ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine?
The InChIKey is ITDXCMIIDAZFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O.C2H6/c1-14(2)13-19-10-5-16(6-11-19)20-15-3-8-18(9-4-15)12-7-17;1-2/h14-16H,3-13,17H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine?
ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine has a molecular weight of 313.53 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]ethanamine is sourced from PubChem (CID 165116457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).