1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine

C24H49N5O — CID 134228334

IUPAC1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine
SMILESCNC1CCN(C(C)CCC(C)N2CCC(N)C(C3COC(C(C)C)CN3)C2)CC1
InChIInChI=1S/C24H49N5O/c1-17(2)24-14-27-23(16-30-24)21-15-29(13-10-22(21)25)19(4)7-6-18(3)28-11-8-20(26-5)9-12-28/h17-24,26-27H,6-16,25H2,1-5H3
InChIKeyDVXTZGXQXCPJQE-UHFFFAOYSA-N
MW423.69 g/mol
LogP1.89
Rot. Bonds8

About 1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine

1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine (PubChem CID 134228334) has the molecular formula C24H49N5O and a molecular weight of 423.69 g/mol. Its IUPAC name is 1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine
PubChem CID134228334
Molecular FormulaC24H49N5O
Molecular Weight423.69 g/mol
Exact Mass423.39
IUPAC Name1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine
SMILESCNC1CCN(C(C)CCC(C)N2CCC(N)C(C3COC(C(C)C)CN3)C2)CC1
InChIInChI=1S/C24H49N5O/c1-17(2)24-14-27-23(16-30-24)21-15-29(13-10-22(21)25)19(4)7-6-18(3)28-11-8-20(26-5)9-12-28/h17-24,26-27H,6-16,25H2,1-5H3
InChIKeyDVXTZGXQXCPJQE-UHFFFAOYSA-N
XLogP1.89
TPSA65.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.69
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine?
The IUPAC name of 1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine (CID 134228334) is 1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine?
The canonical SMILES for 1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine is CNC1CCN(C(C)CCC(C)N2CCC(N)C(C3COC(C(C)C)CN3)C2)CC1.
What is the InChIKey of 1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine?
The InChIKey is DVXTZGXQXCPJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49N5O/c1-17(2)24-14-27-23(16-30-24)21-15-29(13-10-22(21)25)19(4)7-6-18(3)28-11-8-20(26-5)9-12-28/h17-24,26-27H,6-16,25H2,1-5H3.
What are the key properties of 1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine?
1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine has a molecular weight of 423.69 g/mol, XLogP of 1.89, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(methylamino)piperidin-1-yl]hexan-2-yl]-3-(6-propan-2-ylmorpholin-3-yl)piperidin-4-amine is sourced from PubChem (CID 134228334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).