(3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine

C18H36N4 — CID 155370916

IUPAC(3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine
SMILESCC(CCC(C)N1CC2(CCNC2)C1)N1CC[C@@H](C)[C@@H](N)C1
InChIInChI=1S/C18H36N4/c1-14-6-9-21(10-17(14)19)15(2)4-5-16(3)22-12-18(13-22)7-8-20-11-18/h14-17,20H,4-13,19H2,1-3H3/t14-,15?,16?,17+/m1/s1
InChIKeyWPIUKXHLYUUWDG-VXLLPVPCSA-N
MW308.51 g/mol
LogP1.51
Rot. Bonds5

About (3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine

(3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine (PubChem CID 155370916) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is (3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine
PubChem CID155370916
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name(3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine
SMILESCC(CCC(C)N1CC2(CCNC2)C1)N1CC[C@@H](C)[C@@H](N)C1
InChIInChI=1S/C18H36N4/c1-14-6-9-21(10-17(14)19)15(2)4-5-16(3)22-12-18(13-22)7-8-20-11-18/h14-17,20H,4-13,19H2,1-3H3/t14-,15?,16?,17+/m1/s1
InChIKeyWPIUKXHLYUUWDG-VXLLPVPCSA-N
XLogP1.51
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine?
The IUPAC name of (3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine (CID 155370916) is (3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine.
What is the SMILES notation for (3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine?
The canonical SMILES for (3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine is CC(CCC(C)N1CC2(CCNC2)C1)N1CC[C@@H](C)[C@@H](N)C1.
What is the InChIKey of (3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine?
The InChIKey is WPIUKXHLYUUWDG-VXLLPVPCSA-N. The full InChI is InChI=1S/C18H36N4/c1-14-6-9-21(10-17(14)19)15(2)4-5-16(3)22-12-18(13-22)7-8-20-11-18/h14-17,20H,4-13,19H2,1-3H3/t14-,15?,16?,17+/m1/s1.
What are the key properties of (3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine?
(3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine has a molecular weight of 308.51 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[5-(2,7-diazaspiro[3.4]octan-2-yl)hexan-2-yl]-4-methylpiperidin-3-amine is sourced from PubChem (CID 155370916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).