7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane

C18H34N4 — CID 170022734

IUPAC7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane
SMILESC1CC(CN2CC3(CCC(N4CCNCC4)CC3)C2)CCN1
InChIInChI=1S/C18H34N4/c1-5-18(6-2-17(1)22-11-9-20-10-12-22)14-21(15-18)13-16-3-7-19-8-4-16/h16-17,19-20H,1-15H2
InChIKeyCONBREIFFPFILQ-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.14
Rot. Bonds3

About 7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane

7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane (PubChem CID 170022734) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane
PubChem CID170022734
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane
SMILESC1CC(CN2CC3(CCC(N4CCNCC4)CC3)C2)CCN1
InChIInChI=1S/C18H34N4/c1-5-18(6-2-17(1)22-11-9-20-10-12-22)14-21(15-18)13-16-3-7-19-8-4-16/h16-17,19-20H,1-15H2
InChIKeyCONBREIFFPFILQ-UHFFFAOYSA-N
XLogP1.14
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-methylpiperidin-1-yl)-3-(piperidin-4-ylmethyl)-3-azaspiro[5.5]undecane
CID 175622855
2-methyl-7-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-7-azaspiro[3.5]nonane
CID 170022851
4-piperidin-1-yl-1-(piperidin-4-ylmethyl)piperidine
CID 61244264
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-[(3,3,4,4-tetrafluoropyrrolidin-1-yl)methyl]piperidine
CID 164662923
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968111
1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
CID 177134839
3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
CID 146248908
2-(cyclopropylmethyl)-2-azaspiro[3.4]octane
CID 130694661
9-(4-ethylpiperazin-1-yl)-3-azaspiro[5.5]undecane
CID 171641603

Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane?
The IUPAC name of 7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane (CID 170022734) is 7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane is C1CC(CN2CC3(CCC(N4CCNCC4)CC3)C2)CCN1.
What is the InChIKey of 7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane?
The InChIKey is CONBREIFFPFILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-5-18(6-2-17(1)22-11-9-20-10-12-22)14-21(15-18)13-16-3-7-19-8-4-16/h16-17,19-20H,1-15H2.
What are the key properties of 7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane?
7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane has a molecular weight of 306.50 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-2-(piperidin-4-ylmethyl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 170022734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).